2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine

C11H15N3 — CID 15916607

IUPAC2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine
SMILESCc1cccc(CN2CCC(N)=N2)c1
InChIInChI=1S/C11H15N3/c1-9-3-2-4-10(7-9)8-14-6-5-11(12)13-14/h2-4,7H,5-6,8H2,1H3,(H2,12,13)
InChIKeyJRLWTLWNVWSNGC-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.47
Rot. Bonds2

About 2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine

2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine (PubChem CID 15916607) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine
PubChem CID15916607
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine
SMILESCc1cccc(CN2CCC(N)=N2)c1
InChIInChI=1S/C11H15N3/c1-9-3-2-4-10(7-9)8-14-6-5-11(12)13-14/h2-4,7H,5-6,8H2,1H3,(H2,12,13)
InChIKeyJRLWTLWNVWSNGC-UHFFFAOYSA-N
XLogP1.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522494
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536
5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897558
4-[(3-methylphenyl)methyl]-1,4-oxazine
CID 130223742
[2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 82284713
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-ylidene]propanedinitrile
CID 23053141
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
5-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 83241528
5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
CID 83240421

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine (CID 15916607) is 2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine is Cc1cccc(CN2CCC(N)=N2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine?
The InChIKey is JRLWTLWNVWSNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-9-3-2-4-10(7-9)8-14-6-5-11(12)13-14/h2-4,7H,5-6,8H2,1H3,(H2,12,13).
What are the key properties of 2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine?
2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine has a molecular weight of 189.26 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-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 15916607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).