1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide

C15H23N7O2 — CID 70785527

IUPAC1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide
SMILESCOCc1cc(CNC(=O)c2cn(C3CCC(N)CC3)nn2)[nH]n1
InChIInChI=1S/C15H23N7O2/c1-24-9-12-6-11(18-19-12)7-17-15(23)14-8-22(21-20-14)13-4-2-10(16)3-5-13/h6,8,10,13H,2-5,7,9,16H2,1H3,(H,17,23)(H,18,19)
InChIKeyGQULWCDJHROZJN-UHFFFAOYSA-N
MW333.40 g/mol
LogP0.52
Rot. Bonds6

About 1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide (PubChem CID 70785527) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide
PubChem CID70785527
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide
SMILESCOCc1cc(CNC(=O)c2cn(C3CCC(N)CC3)nn2)[nH]n1
InChIInChI=1S/C15H23N7O2/c1-24-9-12-6-11(18-19-12)7-17-15(23)14-8-22(21-20-14)13-4-2-10(16)3-5-13/h6,8,10,13H,2-5,7,9,16H2,1H3,(H,17,23)(H,18,19)
InChIKeyGQULWCDJHROZJN-UHFFFAOYSA-N
XLogP0.52
TPSA123.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide (CID 70785527) is 1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide is COCc1cc(CNC(=O)c2cn(C3CCC(N)CC3)nn2)[nH]n1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide?
The InChIKey is GQULWCDJHROZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-24-9-12-6-11(18-19-12)7-17-15(23)14-8-22(21-20-14)13-4-2-10(16)3-5-13/h6,8,10,13H,2-5,7,9,16H2,1H3,(H,17,23)(H,18,19).
What are the key properties of 1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 70785527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).