N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide

C14H23N3O2 — CID 102634585

IUPACN-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C14H23N3O2/c1-9-13(10(2)17(4)15-9)14(19)16(3)11-7-5-6-8-12(11)18/h11-12,18H,5-8H2,1-4H3
InChIKeyPBNABXZZDHZFMG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.41
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide

N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide (PubChem CID 102634585) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
PubChem CID102634585
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C14H23N3O2/c1-9-13(10(2)17(4)15-9)14(19)16(3)11-7-5-6-8-12(11)18/h11-12,18H,5-8H2,1-4H3
InChIKeyPBNABXZZDHZFMG-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 126808047
N-(2-hydroxycyclohexyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 102634893
2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
CID 60825576
2-ethyl-N-(2-hydroxycyclohexyl)-N,5-dimethylpyrazole-3-carboxamide
CID 102634205
N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide
CID 102634963
N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 102635313
2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
CID 102634808
3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 102631233
1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120977124
N-ethyl-1,3,5-trimethyl-N-(piperidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106626233
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 54996660
2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 102634005

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide (CID 102634585) is N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(C)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The InChIKey is PBNABXZZDHZFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-13(10(2)17(4)15-9)14(19)16(3)11-7-5-6-8-12(11)18/h11-12,18H,5-8H2,1-4H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide is sourced from PubChem (CID 102634585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).