2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine

C19H19FN4 — CID 68910804

IUPAC2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine
SMILESNc1cccc(NCc2ccc(F)cc2)c1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H19FN4/c20-14-8-4-12(5-9-14)11-22-16-3-1-2-15(21)19(16)18-10-17(23-24-18)13-6-7-13/h1-5,8-10,13,22H,6-7,11,21H2,(H,23,24)
InChIKeyMTZBJBOFWQHBGI-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.29
Rot. Bonds5

About 2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine

2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine (PubChem CID 68910804) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine
PubChem CID68910804
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine
SMILESNc1cccc(NCc2ccc(F)cc2)c1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H19FN4/c20-14-8-4-12(5-9-14)11-22-16-3-1-2-15(21)19(16)18-10-17(23-24-18)13-6-7-13/h1-5,8-10,13,22H,6-7,11,21H2,(H,23,24)
InChIKeyMTZBJBOFWQHBGI-UHFFFAOYSA-N
XLogP4.29
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine
CID 69150068
3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine
CID 69286299
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine
CID 11996234
1-N-[(4-fluorophenyl)methyl]-2-iodobenzene-1,4-diamine
CID 66094964
6-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 28904068
3-amino-4-[(4-fluorophenyl)methylamino]benzonitrile
CID 43518027
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-fluoro-6-N-[(4-fluorophenyl)methyl]-5-nitropyridine-2,6-diamine
CID 90711232
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline
CID 115213122
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline
CID 79979330
2-amino-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 115544478

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine?
The IUPAC name of 2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine (CID 68910804) is 2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine is Nc1cccc(NCc2ccc(F)cc2)c1-c1cc(C2CC2)[nH]n1.
What is the InChIKey of 2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine?
The InChIKey is MTZBJBOFWQHBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c20-14-8-4-12(5-9-14)11-22-16-3-1-2-15(21)19(16)18-10-17(23-24-18)13-6-7-13/h1-5,8-10,13,22H,6-7,11,21H2,(H,23,24).
What are the key properties of 2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine?
2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine has a molecular weight of 322.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 68910804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).