5-(cycloheptylmethyl)-1H-pyrazol-3-amine

C11H19N3 — CID 114458019

IUPAC5-(cycloheptylmethyl)-1H-pyrazol-3-amine
SMILESNc1cc(CC2CCCCCC2)[nH]n1
InChIInChI=1S/C11H19N3/c12-11-8-10(13-14-11)7-9-5-3-1-2-4-6-9/h8-9H,1-7H2,(H3,12,13,14)
InChIKeyHVJVKSVTIYXHNQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds2

About 5-(cycloheptylmethyl)-1H-pyrazol-3-amine

5-(cycloheptylmethyl)-1H-pyrazol-3-amine (PubChem CID 114458019) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-(cycloheptylmethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(cycloheptylmethyl)-1H-pyrazol-3-amine
PubChem CID114458019
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-(cycloheptylmethyl)-1H-pyrazol-3-amine
SMILESNc1cc(CC2CCCCCC2)[nH]n1
InChIInChI=1S/C11H19N3/c12-11-8-10(13-14-11)7-9-5-3-1-2-4-6-9/h8-9H,1-7H2,(H3,12,13,14)
InChIKeyHVJVKSVTIYXHNQ-UHFFFAOYSA-N
XLogP2.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine
CID 115092847
5-[[cyclobutylmethyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038791
5-(aminomethyl)-1H-pyrazol-3-amine
CID 83845336
5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine
CID 90166122
5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine
CID 61496781
5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine
CID 122640366
4-(cycloheptylmethyl)pyridin-2-amine
CID 82923791
5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499339
3-amino-N-(2-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523051
N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 117038718
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide
CID 56552898
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylmethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(cycloheptylmethyl)-1H-pyrazol-3-amine (CID 114458019) is 5-(cycloheptylmethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(cycloheptylmethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(cycloheptylmethyl)-1H-pyrazol-3-amine is Nc1cc(CC2CCCCCC2)[nH]n1.
What is the InChIKey of 5-(cycloheptylmethyl)-1H-pyrazol-3-amine?
The InChIKey is HVJVKSVTIYXHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c12-11-8-10(13-14-11)7-9-5-3-1-2-4-6-9/h8-9H,1-7H2,(H3,12,13,14).
What are the key properties of 5-(cycloheptylmethyl)-1H-pyrazol-3-amine?
5-(cycloheptylmethyl)-1H-pyrazol-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylmethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 114458019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).