(2-methylpyrazol-3-yl)-phenylmethanamine

C11H13N3 — CID 43817898

IUPAC(2-methylpyrazol-3-yl)-phenylmethanamine
SMILESCn1nccc1C(N)c1ccccc1
InChIInChI=1S/C11H13N3/c1-14-10(7-8-13-14)11(12)9-5-3-2-4-6-9/h2-8,11H,12H2,1H3
InChIKeyVKNRMXMAIWNLNK-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.47
Rot. Bonds2

About (2-methylpyrazol-3-yl)-phenylmethanamine

(2-methylpyrazol-3-yl)-phenylmethanamine (PubChem CID 43817898) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-phenylmethanamine.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-phenylmethanamine
PubChem CID43817898
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(2-methylpyrazol-3-yl)-phenylmethanamine
SMILESCn1nccc1C(N)c1ccccc1
InChIInChI=1S/C11H13N3/c1-14-10(7-8-13-14)11(12)9-5-3-2-4-6-9/h2-8,11H,12H2,1H3
InChIKeyVKNRMXMAIWNLNK-UHFFFAOYSA-N
XLogP1.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Difenzoquat
CID 39425
2-Methyl-2H-indazol-6-amine
CID 590220
3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
Fezolamine
CID 54567
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-benzyl-1H-pyrazol-4-amine
CID 206694
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-phenylmethanamine?
The IUPAC name of (2-methylpyrazol-3-yl)-phenylmethanamine (CID 43817898) is (2-methylpyrazol-3-yl)-phenylmethanamine.
What is the SMILES notation for (2-methylpyrazol-3-yl)-phenylmethanamine?
The canonical SMILES for (2-methylpyrazol-3-yl)-phenylmethanamine is Cn1nccc1C(N)c1ccccc1.
What is the InChIKey of (2-methylpyrazol-3-yl)-phenylmethanamine?
The InChIKey is VKNRMXMAIWNLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-14-10(7-8-13-14)11(12)9-5-3-2-4-6-9/h2-8,11H,12H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-phenylmethanamine?
(2-methylpyrazol-3-yl)-phenylmethanamine has a molecular weight of 187.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-phenylmethanamine is sourced from PubChem (CID 43817898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).