3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide

C18H24N6O2 — CID 91779124

IUPAC3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C2CC2)c1C(=O)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C18H24N6O2/c1-9-15(16(22-20-9)10-2-3-10)18(26)19-12-6-11(7-12)17-23-21-14(8-25)24(17)13-4-5-13/h10-13,25H,2-8H2,1H3,(H,19,26)(H,20,22)
InChIKeyLOIXMJRNFNULCG-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.69
Rot. Bonds6

About 3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide

3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 91779124) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID91779124
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C2CC2)c1C(=O)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C18H24N6O2/c1-9-15(16(22-20-9)10-2-3-10)18(26)19-12-6-11(7-12)17-23-21-14(8-25)24(17)13-4-5-13/h10-13,25H,2-8H2,1H3,(H,19,26)(H,20,22)
InChIKeyLOIXMJRNFNULCG-UHFFFAOYSA-N
XLogP1.69
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 91779124) is 3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(C2CC2)c1C(=O)NC1CC(c2nnc(CO)n2C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is LOIXMJRNFNULCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-9-15(16(22-20-9)10-2-3-10)18(26)19-12-6-11(7-12)17-23-21-14(8-25)24(17)13-4-5-13/h10-13,25H,2-8H2,1H3,(H,19,26)(H,20,22).
What are the key properties of 3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide?
3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91779124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).