N-(cyclohexylmethyl)-1H-pyrazol-5-amine

C10H17N3 — CID 123419213

IUPACN-(cyclohexylmethyl)-1H-pyrazol-5-amine
SMILESc1cc(NCC2CCCCC2)[nH]n1
InChIInChI=1S/C10H17N3/c1-2-4-9(5-3-1)8-11-10-6-7-12-13-10/h6-7,9H,1-5,8H2,(H2,11,12,13)
InChIKeyOOQYZMZLNBMZGX-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.40
Rot. Bonds3

About N-(cyclohexylmethyl)-1H-pyrazol-5-amine

N-(cyclohexylmethyl)-1H-pyrazol-5-amine (PubChem CID 123419213) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1H-pyrazol-5-amine
PubChem CID123419213
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-(cyclohexylmethyl)-1H-pyrazol-5-amine
SMILESc1cc(NCC2CCCCC2)[nH]n1
InChIInChI=1S/C10H17N3/c1-2-4-9(5-3-1)8-11-10-6-7-12-13-10/h6-7,9H,1-5,8H2,(H2,11,12,13)
InChIKeyOOQYZMZLNBMZGX-UHFFFAOYSA-N
XLogP2.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethyl)-1H-pyrazol-5-amine
CID 4962298
N-ethyl-1H-pyrazol-3-amine
CID 14818493
Piperidino-pyrazole
CID 21416212
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 126677645
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 145270690
4-(aminomethyl)-N-(1H-pyrazol-5-yl)cyclohexane-1-carboxamide
CID 18998614
3-(3-Aminopropylamino)pyrazole
CID 19871502
N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine
CID 20774380
N-(cyclopropylmethyl)-1H-pyrazol-5-amine
CID 55300847
N-propyl-1H-pyrazol-5-amine
CID 57098922
N-pentyl-1H-pyrazol-5-amine
CID 57317534
N-prop-2-enyl-1H-pyrazol-5-amine
CID 57847812

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(cyclohexylmethyl)-1H-pyrazol-5-amine (CID 123419213) is N-(cyclohexylmethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1H-pyrazol-5-amine is c1cc(NCC2CCCCC2)[nH]n1.
What is the InChIKey of N-(cyclohexylmethyl)-1H-pyrazol-5-amine?
The InChIKey is OOQYZMZLNBMZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-4-9(5-3-1)8-11-10-6-7-12-13-10/h6-7,9H,1-5,8H2,(H2,11,12,13).
What are the key properties of N-(cyclohexylmethyl)-1H-pyrazol-5-amine?
N-(cyclohexylmethyl)-1H-pyrazol-5-amine has a molecular weight of 179.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 123419213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).