N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide

C12H19N3O2 — CID 61057507

IUPACN-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(O)CC2)n(C)n1
InChIInChI=1S/C12H19N3O2/c1-8-7-11(15(2)14-8)12(17)13-9-3-5-10(16)6-4-9/h7,9-10,16H,3-6H2,1-2H3,(H,13,17)
InChIKeyKCXUAXRQROJDRQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.76
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide

N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 61057507) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID61057507
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(O)CC2)n(C)n1
InChIInChI=1S/C12H19N3O2/c1-8-7-11(15(2)14-8)12(17)13-9-3-5-10(16)6-4-9/h7,9-10,16H,3-6H2,1-2H3,(H,13,17)
InChIKeyKCXUAXRQROJDRQ-UHFFFAOYSA-N
XLogP0.76
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
CID 66126685
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106121963
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
2,5-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899602
2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172901974
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 56822157
2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 175649732
2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899580
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172899553
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide (CID 61057507) is N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCC(O)CC2)n(C)n1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is KCXUAXRQROJDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-7-11(15(2)14-8)12(17)13-9-3-5-10(16)6-4-9/h7,9-10,16H,3-6H2,1-2H3,(H,13,17).
What are the key properties of N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 61057507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).