N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide

C28H32N6O2S — CID 3931176

IUPACN-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide
SMILESCCCc1c(C(=O)N2CCN(C(=O)NCC)C(C)C2)cnn1-c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C28H32N6O2S/c1-4-8-25-23(26(35)32-13-14-33(19(3)17-32)27(36)29-5-2)16-30-34(25)28-31-24(18-37-28)22-12-11-20-9-6-7-10-21(20)15-22/h6-7,9-12,15-16,18-19H,4-5,8,13-14,17H2,1-3H3,(H,29,36)
InChIKeyVLXMXHOCQMFYSI-UHFFFAOYSA-N
MW516.67 g/mol
LogP4.98
Rot. Bonds6

About N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide

N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide (PubChem CID 3931176) has the molecular formula C28H32N6O2S and a molecular weight of 516.67 g/mol. Its IUPAC name is N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide
PubChem CID3931176
Molecular FormulaC28H32N6O2S
Molecular Weight516.67 g/mol
Exact Mass516.23
IUPAC NameN-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide
SMILESCCCc1c(C(=O)N2CCN(C(=O)NCC)C(C)C2)cnn1-c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C28H32N6O2S/c1-4-8-25-23(26(35)32-13-14-33(19(3)17-32)27(36)29-5-2)16-30-34(25)28-31-24(18-37-28)22-12-11-20-9-6-7-10-21(20)15-22/h6-7,9-12,15-16,18-19H,4-5,8,13-14,17H2,1-3H3,(H,29,36)
InChIKeyVLXMXHOCQMFYSI-UHFFFAOYSA-N
XLogP4.98
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.67
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-4-[5-ethyl-1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonyl]-2-methylpiperazine-1-carboxamide
CID 42725728
1-[4-[5-ethyl-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonyl]-2-methylpiperazin-1-yl]-2-methylpropan-1-one
CID 22474583
(3-bromophenyl)-[4-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-ethylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]methanone
CID 22474474
N-(4-ethylphenyl)-2-methyl-4-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide
CID 4311858
(4-bromophenyl)-[4-[5-ethyl-1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonyl]-2-methylpiperazin-1-yl]methanone
CID 42657839
1-[4-[1-[4-(4-bromophenyl)-5-phenyl-1,3-thiazol-2-yl]-5-propylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]pentan-1-one
CID 42657820
4-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-4-carbonyl]-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide
CID 42657812
[4-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]-(2-fluorophenyl)methanone
CID 42657850
1-[4-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]-2-ethylhexan-1-one
CID 3477504
N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide
CID 42708187
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 4145604
[(3S)-4-(4-chloro-3-nitrophenyl)sulfonyl-3-methylpiperazin-1-yl]-[1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazol-4-yl]methanone
CID 99683115

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide (CID 3931176) is N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide is CCCc1c(C(=O)N2CCN(C(=O)NCC)C(C)C2)cnn1-c1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide?
The InChIKey is VLXMXHOCQMFYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2S/c1-4-8-25-23(26(35)32-13-14-33(19(3)17-32)27(36)29-5-2)16-30-34(25)28-31-24(18-37-28)22-12-11-20-9-6-7-10-21(20)15-22/h6-7,9-12,15-16,18-19H,4-5,8,13-14,17H2,1-3H3,(H,29,36).
What are the key properties of N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide?
N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide has a molecular weight of 516.67 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-4-[1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 3931176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).