N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide

C13H21N3O2 — CID 66126067

IUPACN-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCCCC2)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-10-8-11(16(2)15-10)12(17)14-9-13(18)6-4-3-5-7-13/h8,18H,3-7,9H2,1-2H3,(H,14,17)
InChIKeyBBBGKLJISLYOQW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.15
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 66126067) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID66126067
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCCCC2)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-10-8-11(16(2)15-10)12(17)14-9-13(18)6-4-3-5-7-13/h8,18H,3-7,9H2,1-2H3,(H,14,17)
InChIKeyBBBGKLJISLYOQW-UHFFFAOYSA-N
XLogP1.15
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 66126067) is N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2(O)CCCCC2)n(C)n1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is BBBGKLJISLYOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-8-11(16(2)15-10)12(17)14-9-13(18)6-4-3-5-7-13/h8,18H,3-7,9H2,1-2H3,(H,14,17).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 66126067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).