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

C12H20N4O — CID 55062584

IUPACN-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C12H20N4O/c1-7-11(8(2)16-15-7)12(17)14-10-5-3-9(13)4-6-10/h9-10H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyYRNUAJSPJVWZHE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.03
Rot. Bonds2

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

N-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 55062584) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID55062584
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C12H20N4O/c1-7-11(8(2)16-15-7)12(17)14-10-5-3-9(13)4-6-10/h9-10H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyYRNUAJSPJVWZHE-UHFFFAOYSA-N
XLogP1.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 55062584) is N-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is YRNUAJSPJVWZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7-11(8(2)16-15-7)12(17)14-10-5-3-9(13)4-6-10/h9-10H,3-6,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55062584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).