N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine

C12H22N4O — CID 114255669

IUPACN-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine
SMILESCOc1cc(NC2CCCCC2CN)nn1C
InChIInChI=1S/C12H22N4O/c1-16-12(17-2)7-11(15-16)14-10-6-4-3-5-9(10)8-13/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyFAJCJSPCLBEWAU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.36
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine

N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine (PubChem CID 114255669) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine
PubChem CID114255669
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine
SMILESCOc1cc(NC2CCCCC2CN)nn1C
InChIInChI=1S/C12H22N4O/c1-16-12(17-2)7-11(15-16)14-10-6-4-3-5-9(10)8-13/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyFAJCJSPCLBEWAU-UHFFFAOYSA-N
XLogP1.36
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine
CID 114869559
7-[[2-(aminomethyl)cyclohexyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283574
N-[2-(aminomethyl)cyclopentyl]-5-tert-butylpyridin-2-amine
CID 114011644
methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
CID 66285311
2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide
CID 114770110
N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 22007008
N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine
CID 106540782
4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile
CID 113460277
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
6-ethoxy-N-(2-ethylcyclohexyl)-2-methylpyrimidin-4-amine
CID 66327527
4-N-(2-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80803646

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine (CID 114255669) is N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine is COc1cc(NC2CCCCC2CN)nn1C.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine?
The InChIKey is FAJCJSPCLBEWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-16-12(17-2)7-11(15-16)14-10-6-4-3-5-9(10)8-13/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine?
N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-5-methoxy-1-methylpyrazol-3-amine is sourced from PubChem (CID 114255669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).