N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine

C11H13N3 — CID 43540108

IUPACN-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine
SMILESCc1cccc(CNc2cn[nH]c2)c1
InChIInChI=1S/C11H13N3/c1-9-3-2-4-10(5-9)6-12-11-7-13-14-8-11/h2-5,7-8,12H,6H2,1H3,(H,13,14)
InChIKeySMCQSCCPTVISPV-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.33
Rot. Bonds3

About N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine

N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine (PubChem CID 43540108) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine
PubChem CID43540108
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine
SMILESCc1cccc(CNc2cn[nH]c2)c1
InChIInChI=1S/C11H13N3/c1-9-3-2-4-10(5-9)6-12-11-7-13-14-8-11/h2-5,7-8,12H,6H2,1H3,(H,13,14)
InChIKeySMCQSCCPTVISPV-UHFFFAOYSA-N
XLogP2.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
CID 168878317
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944792
N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188488
N-(2,6-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188543
6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 133373480
N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689504
3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 113256867
N-[(3-methylphenyl)methyl]-3,4-di(propan-2-yloxy)aniline
CID 83961533
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine
CID 43539826
N-(4-ethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188546
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80758182

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine (CID 43540108) is N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine is Cc1cccc(CNc2cn[nH]c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine?
The InChIKey is SMCQSCCPTVISPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-3-2-4-10(5-9)6-12-11-7-13-14-8-11/h2-5,7-8,12H,6H2,1H3,(H,13,14).
What are the key properties of N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine?
N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine has a molecular weight of 187.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43540108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).