N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide

C14H23N3O2 — CID 111560347

IUPACN-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2(O)CCCC2)nn1C
InChIInChI=1S/C14H23N3O2/c1-10(2)12-8-11(16-17(12)3)13(18)15-9-14(19)6-4-5-7-14/h8,10,19H,4-7,9H2,1-3H3,(H,15,18)
InChIKeyWMTUVFPVDUNFNR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.58
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide

N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 111560347) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID111560347
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2(O)CCCC2)nn1C
InChIInChI=1S/C14H23N3O2/c1-10(2)12-8-11(16-17(12)3)13(18)15-9-14(19)6-4-5-7-14/h8,10,19H,4-7,9H2,1-3H3,(H,15,18)
InChIKeyWMTUVFPVDUNFNR-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide (CID 111560347) is N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide is CC(C)c1cc(C(=O)NCC2(O)CCCC2)nn1C.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is WMTUVFPVDUNFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)12-8-11(16-17(12)3)13(18)15-9-14(19)6-4-5-7-14/h8,10,19H,4-7,9H2,1-3H3,(H,15,18).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 111560347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).