N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide

C16H27N3O2 — CID 110008789

IUPACN-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1C(=O)NC1(CO)CCCC1
InChIInChI=1S/C16H27N3O2/c1-4-13(5-2)19-14(10-12(3)18-19)15(21)17-16(11-20)8-6-7-9-16/h10,13,20H,4-9,11H2,1-3H3,(H,17,21)
InChIKeyOENGIBGFFNVBKF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.59
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide (PubChem CID 110008789) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
PubChem CID110008789
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1C(=O)NC1(CO)CCCC1
InChIInChI=1S/C16H27N3O2/c1-4-13(5-2)19-14(10-12(3)18-19)15(21)17-16(11-20)8-6-7-9-16/h10,13,20H,4-9,11H2,1-3H3,(H,17,21)
InChIKeyOENGIBGFFNVBKF-UHFFFAOYSA-N
XLogP2.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide (CID 110008789) is N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide is CCC(CC)n1nc(C)cc1C(=O)NC1(CO)CCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide?
The InChIKey is OENGIBGFFNVBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-13(5-2)19-14(10-12(3)18-19)15(21)17-16(11-20)8-6-7-9-16/h10,13,20H,4-9,11H2,1-3H3,(H,17,21).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 110008789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).