N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

C24H25N5O2 — CID 19469126

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)cnn1C
InChIInChI=1S/C24H25N5O2/c1-17(22-15-25-28(3)18(22)2)26-24(30)23-13-14-29(27-23)16-31-21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,26,30)
InChIKeyRYOUSCNIWUWQEF-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.12
Rot. Bonds7

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19469126) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19469126
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)cnn1C
InChIInChI=1S/C24H25N5O2/c1-17(22-15-25-28(3)18(22)2)26-24(30)23-13-14-29(27-23)16-31-21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,26,30)
InChIKeyRYOUSCNIWUWQEF-UHFFFAOYSA-N
XLogP4.12
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,6-dichlorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19469080
3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623630
N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19328190
1-[(4-tert-butylphenoxy)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19273693
1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624217
N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325576
N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273362
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273562
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273336
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273541
ethyl 4,5-dimethyl-2-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
CID 19273411
1-[(4-tert-butylphenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19273730

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (CID 19469126) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is Cc1c(C(C)NC(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is RYOUSCNIWUWQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17(22-15-25-28(3)18(22)2)26-24(30)23-13-14-29(27-23)16-31-21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,26,30).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19469126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).