N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide

C13H22N4O — CID 61249302

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn[nH]c2)CCCCC1
InChIInChI=1S/C13H22N4O/c1-17(2)13(6-4-3-5-7-13)10-14-12(18)11-8-15-16-9-11/h8-9H,3-7,10H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyAAMHKHXRJYCHID-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.40
Rot. Bonds4

About N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 61249302) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID61249302
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn[nH]c2)CCCCC1
InChIInChI=1S/C13H22N4O/c1-17(2)13(6-4-3-5-7-13)10-14-12(18)11-8-15-16-9-11/h8-9H,3-7,10H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyAAMHKHXRJYCHID-UHFFFAOYSA-N
XLogP1.40
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide (CID 61249302) is N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide is CN(C)C1(CNC(=O)c2cn[nH]c2)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is AAMHKHXRJYCHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17(2)13(6-4-3-5-7-13)10-14-12(18)11-8-15-16-9-11/h8-9H,3-7,10H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61249302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).