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

C13H21N3O2 — CID 106121963

IUPACN-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(O)CC2)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-9-7-12(16(2)15-9)13(18)14-8-10-3-5-11(17)6-4-10/h7,10-11,17H,3-6,8H2,1-2H3,(H,14,18)
InChIKeyORCJMTZKEFCUIK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.01
Rot. Bonds3

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

N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 106121963) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID106121963
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(O)CC2)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-9-7-12(16(2)15-9)13(18)14-8-10-3-5-11(17)6-4-10/h7,10-11,17H,3-6,8H2,1-2H3,(H,14,18)
InChIKeyORCJMTZKEFCUIK-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromocyclopentyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106128834
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
CID 114700062
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 106119092
2,5-dimethyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrazole-3-carboxamide
CID 129331405
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
CID 106119084
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126917753
2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 154848159
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97465252
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97465251
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 114146362
1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide
CID 138055578

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 106121963) is N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CCC(O)CC2)n(C)n1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ORCJMTZKEFCUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-7-12(16(2)15-9)13(18)14-8-10-3-5-11(17)6-4-10/h7,10-11,17H,3-6,8H2,1-2H3,(H,14,18).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 106121963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).