N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide

C14H24N4O — CID 103970196

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(CN)CCCCC2)n(C)n1
InChIInChI=1S/C14H24N4O/c1-11-8-12(18(2)17-11)13(19)16-10-14(9-15)6-4-3-5-7-14/h8H,3-7,9-10,15H2,1-2H3,(H,16,19)
InChIKeyAMSYFNVABPAFFF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.37
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 103970196) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID103970196
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(CN)CCCCC2)n(C)n1
InChIInChI=1S/C14H24N4O/c1-11-8-12(18(2)17-11)13(19)16-10-14(9-15)6-4-3-5-7-14/h8H,3-7,9-10,15H2,1-2H3,(H,16,19)
InChIKeyAMSYFNVABPAFFF-UHFFFAOYSA-N
XLogP1.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 119404493
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103970100
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449752
2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 114217953
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114758986
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103123164
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113360016
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103969422
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide
CID 103970220
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440961
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811424

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 103970196) is N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2(CN)CCCCC2)n(C)n1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is AMSYFNVABPAFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-8-12(18(2)17-11)13(19)16-10-14(9-15)6-4-3-5-7-14/h8H,3-7,9-10,15H2,1-2H3,(H,16,19).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 103970196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).