N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C12H19N3O2 — CID 43582365

IUPACN-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H19N3O2/c1-7-11(8(2)15-14-7)12(17)13-9-3-5-10(16)6-4-9/h9-10,16H,3-6H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyPBXVTUUWRXUQSB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.06
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 43582365) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID43582365
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H19N3O2/c1-7-11(8(2)15-14-7)12(17)13-9-3-5-10(16)6-4-9/h9-10,16H,3-6H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyPBXVTUUWRXUQSB-UHFFFAOYSA-N
XLogP1.06
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 43582365) is N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is PBXVTUUWRXUQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7-11(8(2)15-14-7)12(17)13-9-3-5-10(16)6-4-9/h9-10,16H,3-6H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).