N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C18H20ClN5O — CID 78880599

IUPACN-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC(C)c2ccccc2Cl)[nH]n1
InChIInChI=1S/C18H20ClN5O/c1-10(13-7-5-6-8-14(13)19)20-18(25)16-9-15(21-22-16)17-11(2)23-24(4)12(17)3/h5-10H,1-4H3,(H,20,25)(H,21,22)
InChIKeyZWEQKGPOHNZXPP-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78880599) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78880599
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC(C)c2ccccc2Cl)[nH]n1
InChIInChI=1S/C18H20ClN5O/c1-10(13-7-5-6-8-14(13)19)20-18(25)16-9-15(21-22-16)17-11(2)23-24(4)12(17)3/h5-10H,1-4H3,(H,20,25)(H,21,22)
InChIKeyZWEQKGPOHNZXPP-UHFFFAOYSA-N
XLogP3.57
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881659
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78882620
N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 46963675
N-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879764
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880361
N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 91821040
N-(3-amino-2-methylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119998304
N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 124841345
N-(2,3-dimethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879388
N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880128
N-(2-amino-1-cyclopropylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119617698
N-[(4-methylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880688

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78880599) is N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NC(C)c2ccccc2Cl)[nH]n1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZWEQKGPOHNZXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-10(13-7-5-6-8-14(13)19)20-18(25)16-9-15(21-22-16)17-11(2)23-24(4)12(17)3/h5-10H,1-4H3,(H,20,25)(H,21,22).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 357.85 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78880599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).