N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide

C18H26N6O2 — CID 91768968

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
SMILESCc1[nH]nc(CCC(=O)NC2CC(c3nnc(CO)n3C3CC3)C2)c1C
InChIInChI=1S/C18H26N6O2/c1-10-11(2)20-21-15(10)5-6-17(26)19-13-7-12(8-13)18-23-22-16(9-25)24(18)14-3-4-14/h12-14,25H,3-9H2,1-2H3,(H,19,26)(H,20,21)
InChIKeyBCCVHSZWCAWCHA-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.44
Rot. Bonds7

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide (PubChem CID 91768968) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
PubChem CID91768968
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
SMILESCc1[nH]nc(CCC(=O)NC2CC(c3nnc(CO)n3C3CC3)C2)c1C
InChIInChI=1S/C18H26N6O2/c1-10-11(2)20-21-15(10)5-6-17(26)19-13-7-12(8-13)18-23-22-16(9-25)24(18)14-3-4-14/h12-14,25H,3-9H2,1-2H3,(H,19,26)(H,20,21)
InChIKeyBCCVHSZWCAWCHA-UHFFFAOYSA-N
XLogP1.44
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide (CID 91768968) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide is Cc1[nH]nc(CCC(=O)NC2CC(c3nnc(CO)n3C3CC3)C2)c1C.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is BCCVHSZWCAWCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-10-11(2)20-21-15(10)5-6-17(26)19-13-7-12(8-13)18-23-22-16(9-25)24(18)14-3-4-14/h12-14,25H,3-9H2,1-2H3,(H,19,26)(H,20,21).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 358.45 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 91768968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).