N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine

C11H20N4 — CID 103568739

IUPACN-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCC2CCC(N)CC2)cn1
InChIInChI=1S/C11H20N4/c1-15-8-11(7-14-15)13-6-9-2-4-10(12)5-3-9/h7-10,13H,2-6,12H2,1H3
InChIKeyWJWJIGZQEHYTDM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.35
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine

N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine (PubChem CID 103568739) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
PubChem CID103568739
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCC2CCC(N)CC2)cn1
InChIInChI=1S/C11H20N4/c1-15-8-11(7-14-15)13-6-9-2-4-10(12)5-3-9/h7-10,13H,2-6,12H2,1H3
InChIKeyWJWJIGZQEHYTDM-UHFFFAOYSA-N
XLogP1.35
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568948
N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine
CID 103568898
1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine
CID 130523385
1-methyl-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-amine
CID 155225172
N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine
CID 43535007
4-[(4-aminocyclohexyl)methylamino]benzenethiol
CID 59230358
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
CID 59230557
1-methyl-N-(2-piperidin-4-ylethyl)pyrazol-4-amine
CID 103568741
N-cyclododecyl-1-methylpyrazol-4-amine
CID 43535013
N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline
CID 59230383
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 103568966
1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 59230186

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine (CID 103568739) is N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine is Cn1cc(NCC2CCC(N)CC2)cn1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is WJWJIGZQEHYTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-15-8-11(7-14-15)13-6-9-2-4-10(12)5-3-9/h7-10,13H,2-6,12H2,1H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine?
N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 208.31 g/mol, XLogP of 1.35, 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]-1-methylpyrazol-4-amine is sourced from PubChem (CID 103568739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).