3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide

C24H29N7O2 — CID 155212657

IUPAC3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cnn(Cc2cccc(C(=O)NCCC3CCCCC3)c2)c1
InChIInChI=1S/C24H29N7O2/c25-22-21(26-11-12-27-22)24(33)30-20-14-29-31(16-20)15-18-7-4-8-19(13-18)23(32)28-10-9-17-5-2-1-3-6-17/h4,7-8,11-14,16-17H,1-3,5-6,9-10,15H2,(H2,25,27)(H,28,32)(H,30,33)
InChIKeyCYBILVXKECRSSM-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.26
Rot. Bonds8

About 3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide

3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 155212657) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID155212657
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cnn(Cc2cccc(C(=O)NCCC3CCCCC3)c2)c1
InChIInChI=1S/C24H29N7O2/c25-22-21(26-11-12-27-22)24(33)30-20-14-29-31(16-20)15-18-7-4-8-19(13-18)23(32)28-10-9-17-5-2-1-3-6-17/h4,7-8,11-14,16-17H,1-3,5-6,9-10,15H2,(H2,25,27)(H,28,32)(H,30,33)
InChIKeyCYBILVXKECRSSM-UHFFFAOYSA-N
XLogP3.26
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 155212371
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3-amino-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
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5-[[4-[(3-aminopyrazine-2-carbonyl)amino]pyrazol-1-yl]methyl]-2-fluorobenzoic acid
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3-amino-N-[1-[[3-chloro-5-(propan-2-ylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212378
3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212551
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 155212657) is 3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1cnn(Cc2cccc(C(=O)NCCC3CCCCC3)c2)c1.
What is the InChIKey of 3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is CYBILVXKECRSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c25-22-21(26-11-12-27-22)24(33)30-20-14-29-31(16-20)15-18-7-4-8-19(13-18)23(32)28-10-9-17-5-2-1-3-6-17/h4,7-8,11-14,16-17H,1-3,5-6,9-10,15H2,(H2,25,27)(H,28,32)(H,30,33).
What are the key properties of 3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155212657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).