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

C20H28N6O2 — CID 91778811

IUPAC5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC(c2nnc(CO)n2C2CC2)C1)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C20H28N6O2/c27-11-17-23-25-19(26(17)15-6-7-15)13-8-14(9-13)22-20(28)16-10-21-24-18(16)12-4-2-1-3-5-12/h10,12-15,27H,1-9,11H2,(H,21,24)(H,22,28)
InChIKeyLGXDBCQWQLKMFQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.55
Rot. Bonds6

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

5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide (PubChem CID 91778811) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide
PubChem CID91778811
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC(c2nnc(CO)n2C2CC2)C1)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C20H28N6O2/c27-11-17-23-25-19(26(17)15-6-7-15)13-8-14(9-13)22-20(28)16-10-21-24-18(16)12-4-2-1-3-5-12/h10,12-15,27H,1-9,11H2,(H,21,24)(H,22,28)
InChIKeyLGXDBCQWQLKMFQ-UHFFFAOYSA-N
XLogP2.55
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide (CID 91778811) is 5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide is O=C(NC1CC(c2nnc(CO)n2C2CC2)C1)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LGXDBCQWQLKMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c27-11-17-23-25-19(26(17)15-6-7-15)13-8-14(9-13)22-20(28)16-10-21-24-18(16)12-4-2-1-3-5-12/h10,12-15,27H,1-9,11H2,(H,21,24)(H,22,28).
What are the key properties of 5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91778811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).