N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine

C12H22N4 — CID 103568966

IUPACN-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCC2CCC(N)CC2)n(C)n1
InChIInChI=1S/C12H22N4/c1-9-7-12(16(2)15-9)14-8-10-3-5-11(13)6-4-10/h7,10-11,14H,3-6,8,13H2,1-2H3
InChIKeyFKUQHMXSPPECMP-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.66
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine

N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine (PubChem CID 103568966) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine
PubChem CID103568966
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCC2CCC(N)CC2)n(C)n1
InChIInChI=1S/C12H22N4/c1-9-7-12(16(2)15-9)14-8-10-3-5-11(13)6-4-10/h7,10-11,14H,3-6,8,13H2,1-2H3
InChIKeyFKUQHMXSPPECMP-UHFFFAOYSA-N
XLogP1.66
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazol-3-amine
CID 131047869
2-(4-aminopiperidin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 79332492
2,5-dimethyl-N-(2-piperidin-4-ylethyl)pyrazol-3-amine
CID 103568968
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,5-dimethylpyrazol-3-amine
CID 103569096
N-[(4-aminocyclohexyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 106128757
1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine
CID 103568986
(2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523401
N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568739
N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 130610447
N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine
CID 103569049
1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
CID 115868565
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122166456

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine (CID 103568966) is N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine is Cc1cc(NCC2CCC(N)CC2)n(C)n1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine?
The InChIKey is FKUQHMXSPPECMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-7-12(16(2)15-9)14-8-10-3-5-11(13)6-4-10/h7,10-11,14H,3-6,8,13H2,1-2H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine?
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 103568966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).