N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide

C13H21N3O — CID 43582836

IUPACN-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C13H21N3O/c1-9-12(10(2)16-15-9)13(17)14-11-7-5-3-4-6-8-11/h11H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyJXNUDSJBGOYXSM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.48
Rot. Bonds2

About N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 43582836) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID43582836
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C13H21N3O/c1-9-12(10(2)16-15-9)13(17)14-11-7-5-3-4-6-8-11/h11H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyJXNUDSJBGOYXSM-UHFFFAOYSA-N
XLogP2.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide
CID 79110670
3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 43582706
N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 64722578
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583025
3,5-dimethyl-N-(2-methylcyclopropyl)-1H-pyrazole-4-carboxamide
CID 62408257
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950838
3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide
CID 62316922
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
4-amino-N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 62081203
N-cyclopentyl-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110848761
N-cyclohexyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911212
N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136890080

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 43582836) is N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is JXNUDSJBGOYXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-12(10(2)16-15-9)13(17)14-11-7-5-3-4-6-8-11/h11H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).