5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine

C13H21N3 — CID 122640366

IUPAC5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine
SMILESNc1cc(CC23CCCC(CCC2)C3)[nH]n1
InChIInChI=1S/C13H21N3/c14-12-7-11(15-16-12)9-13-5-1-3-10(8-13)4-2-6-13/h7,10H,1-6,8-9H2,(H3,14,15,16)
InChIKeyQSBUJNYLZMHUQL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds2

About 5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine

5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine (PubChem CID 122640366) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine
PubChem CID122640366
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine
SMILESNc1cc(CC23CCCC(CCC2)C3)[nH]n1
InChIInChI=1S/C13H21N3/c14-12-7-11(15-16-12)9-13-5-1-3-10(8-13)4-2-6-13/h7,10H,1-6,8-9H2,(H3,14,15,16)
InChIKeyQSBUJNYLZMHUQL-UHFFFAOYSA-N
XLogP2.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cycloheptylmethyl)-1H-pyrazol-3-amine
CID 114458019
5-(aminomethyl)-1H-pyrazol-3-amine
CID 83845336
5-[[cyclobutylmethyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038791
5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine
CID 90166122
N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 117038718
5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine
CID 117215911
5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine
CID 115092847
5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
CID 62503288
5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038615
5-(3,3-difluorobutyl)-1H-pyrazol-3-amine
CID 129066328
5-(3-methoxypropyl)-1H-pyrazol-3-amine
CID 45121235

Frequently Asked Questions

What is the IUPAC name of 5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine (CID 122640366) is 5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine is Nc1cc(CC23CCCC(CCC2)C3)[nH]n1.
What is the InChIKey of 5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine?
The InChIKey is QSBUJNYLZMHUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-12-7-11(15-16-12)9-13-5-1-3-10(8-13)4-2-6-13/h7,10H,1-6,8-9H2,(H3,14,15,16).
What are the key properties of 5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine?
5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bicyclo[3.3.1]nonanylmethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 122640366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).