2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline

C17H18N4 — CID 66418255

IUPAC2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline
SMILESNc1ccccc1CNCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C17H18N4/c18-16-4-2-1-3-15(16)12-19-11-13-5-7-14(8-6-13)17-9-10-20-21-17/h1-10,19H,11-12,18H2,(H,20,21)
InChIKeyDMPOKDOALJFHIR-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.95
Rot. Bonds5

About 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline

2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline (PubChem CID 66418255) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline
PubChem CID66418255
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline
SMILESNc1ccccc1CNCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C17H18N4/c18-16-4-2-1-3-15(16)12-19-11-13-5-7-14(8-6-13)17-9-10-20-21-17/h1-10,19H,11-12,18H2,(H,20,21)
InChIKeyDMPOKDOALJFHIR-UHFFFAOYSA-N
XLogP2.95
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine
CID 66387981
1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 10539500
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
CID 61241369
5-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]furan-2-carbonitrile
CID 115653945
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 66414199
2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine
CID 63696732
2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline
CID 83962689
(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 61241755
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 61240789
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 104879109
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 166205024

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline?
The IUPAC name of 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline (CID 66418255) is 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline.
What is the SMILES notation for 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline?
The canonical SMILES for 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline is Nc1ccccc1CNCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline?
The InChIKey is DMPOKDOALJFHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-16-4-2-1-3-15(16)12-19-11-13-5-7-14(8-6-13)17-9-10-20-21-17/h1-10,19H,11-12,18H2,(H,20,21).
What are the key properties of 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline?
2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline has a molecular weight of 278.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline is sourced from PubChem (CID 66418255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).