N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide

C13H22N4O — CID 115308618

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C13H22N4O/c1-9-5-3-4-6-13(9,8-14)16-12(18)11-7-15-17-10(11)2/h7,9H,3-6,8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyCIIIFKDDFBBXSH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 115308618) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID115308618
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C13H22N4O/c1-9-5-3-4-6-13(9,8-14)16-12(18)11-7-15-17-10(11)2/h7,9H,3-6,8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyCIIIFKDDFBBXSH-UHFFFAOYSA-N
XLogP1.36
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide
CID 115308660
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 115308378
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
CID 107098315
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
CID 113283690
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732198
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dichlorobenzamide
CID 115308512
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
CID 115308514
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 115308550
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide
CID 115308437
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
CID 107963717
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 113283661

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 115308618) is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NC1(CN)CCCCC1C.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is CIIIFKDDFBBXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-5-3-4-6-13(9,8-14)16-12(18)11-7-15-17-10(11)2/h7,9H,3-6,8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 115308618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).