(3-pyrazol-1-ylphenyl)methylazanium

C10H12N3+ — CID 3258757

IUPAC(3-pyrazol-1-ylphenyl)methylazanium
SMILES[NH3+]Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2/p+1
InChIKeyYWZKZHCZKIKAAC-UHFFFAOYSA-O
MW174.23 g/mol
LogP0.61
Rot. Bonds2

About (3-pyrazol-1-ylphenyl)methylazanium

(3-pyrazol-1-ylphenyl)methylazanium (PubChem CID 3258757) has the molecular formula C10H12N3+ and a molecular weight of 174.23 g/mol. Its IUPAC name is (3-pyrazol-1-ylphenyl)methylazanium.

Molecular Properties

Compound Name(3-pyrazol-1-ylphenyl)methylazanium
PubChem CID3258757
Molecular FormulaC10H12N3+
Molecular Weight174.23 g/mol
Exact Mass174.10
IUPAC Name(3-pyrazol-1-ylphenyl)methylazanium
SMILES[NH3+]Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2/p+1
InChIKeyYWZKZHCZKIKAAC-UHFFFAOYSA-O
XLogP0.61
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
CID 52988138
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111425032
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
CID 62488878
2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol
CID 112699473
N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739922
ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate
CID 137463417
(5S)-5-tert-butyl-3-[(3-pyrazol-1-ylphenyl)methyl]imidazolidine-2,4-dione
CID 75472637
(3S,6S)-1,3,6-trimethyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine-2,5-dione
CID 165426894
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
N-[(3-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111425029

Frequently Asked Questions

What is the IUPAC name of (3-pyrazol-1-ylphenyl)methylazanium?
The IUPAC name of (3-pyrazol-1-ylphenyl)methylazanium (CID 3258757) is (3-pyrazol-1-ylphenyl)methylazanium.
What is the SMILES notation for (3-pyrazol-1-ylphenyl)methylazanium?
The canonical SMILES for (3-pyrazol-1-ylphenyl)methylazanium is [NH3+]Cc1cccc(-n2cccn2)c1.
What is the InChIKey of (3-pyrazol-1-ylphenyl)methylazanium?
The InChIKey is YWZKZHCZKIKAAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2/p+1.
What are the key properties of (3-pyrazol-1-ylphenyl)methylazanium?
(3-pyrazol-1-ylphenyl)methylazanium has a molecular weight of 174.23 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrazol-1-ylphenyl)methylazanium is sourced from PubChem (CID 3258757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).