1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide

C20H30N6O — CID 42197338

IUPAC1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C20H30N6O/c1-25(13-18-16-10-6-3-7-11-17(16)21-22-18)20(27)19-14-26(24-23-19)12-15-8-4-2-5-9-15/h14-15H,2-13H2,1H3,(H,21,22)
InChIKeyPRILILBNLRYPOM-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.12
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide

1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide (PubChem CID 42197338) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide
PubChem CID42197338
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C20H30N6O/c1-25(13-18-16-10-6-3-7-11-17(16)21-22-18)20(27)19-14-26(24-23-19)12-15-8-4-2-5-9-15/h14-15H,2-13H2,1H3,(H,21,22)
InChIKeyPRILILBNLRYPOM-UHFFFAOYSA-N
XLogP3.12
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide (CID 42197338) is 1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide is CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cn(CC2CCCCC2)nn1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide?
The InChIKey is PRILILBNLRYPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-25(13-18-16-10-6-3-7-11-17(16)21-22-18)20(27)19-14-26(24-23-19)12-15-8-4-2-5-9-15/h14-15H,2-13H2,1H3,(H,21,22).
What are the key properties of 1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide?
1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 42197338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).