N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide

C14H23N3O2 — CID 122140288

IUPACN-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NCC2(O)CCCC2C)n1
InChIInChI=1S/C14H23N3O2/c1-10(2)17-8-6-12(16-17)13(18)15-9-14(19)7-4-5-11(14)3/h6,8,10-11,19H,4-5,7,9H2,1-3H3,(H,15,18)
InChIKeyVDZDEGFSBJYVQZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.74
Rot. Bonds4

About N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 122140288) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID122140288
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NCC2(O)CCCC2C)n1
InChIInChI=1S/C14H23N3O2/c1-10(2)17-8-6-12(16-17)13(18)15-9-14(19)7-4-5-11(14)3/h6,8,10-11,19H,4-5,7,9H2,1-3H3,(H,15,18)
InChIKeyVDZDEGFSBJYVQZ-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 122140288) is N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)NCC2(O)CCCC2C)n1.
What is the InChIKey of N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is VDZDEGFSBJYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)17-8-6-12(16-17)13(18)15-9-14(19)7-4-5-11(14)3/h6,8,10-11,19H,4-5,7,9H2,1-3H3,(H,15,18).
What are the key properties of N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 122140288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).