2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide

C18H17N5O2 — CID 174690540

IUPAC2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide
SMILESNCc1ccc(-c2cc(-c3cc(C(N)=O)ccc3C(N)=O)[nH]n2)cc1
InChIInChI=1S/C18H17N5O2/c19-9-10-1-3-11(4-2-10)15-8-16(23-22-15)14-7-12(17(20)24)5-6-13(14)18(21)25/h1-8H,9,19H2,(H2,20,24)(H2,21,25)(H,22,23)
InChIKeyJICFPOUIDKLOJW-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.40
Rot. Bonds5

About 2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide

2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide (PubChem CID 174690540) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide
PubChem CID174690540
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide
SMILESNCc1ccc(-c2cc(-c3cc(C(N)=O)ccc3C(N)=O)[nH]n2)cc1
InChIInChI=1S/C18H17N5O2/c19-9-10-1-3-11(4-2-10)15-8-16(23-22-15)14-7-12(17(20)24)5-6-13(14)18(21)25/h1-8H,9,19H2,(H2,20,24)(H2,21,25)(H,22,23)
InChIKeyJICFPOUIDKLOJW-UHFFFAOYSA-N
XLogP1.40
TPSA140.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide 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

4-hydroxy-3-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135412754
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide
CID 142009070
[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methanamine
CID 82468594
2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide
CID 67802565
4-hydroxy-3-(1H-pyrazol-5-yl)benzamide
CID 174574401
3-methyl-2-(3-phenyl-1H-pyrazol-5-yl)benzamide;3-phenylpropan-1-amine
CID 145217688
2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone
CID 165084092
N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091788
2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide
CID 174919262
N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091810
3-[4-[4-(aminomethyl)phenyl]phenyl]-4-chlorobenzoic acid
CID 68551105

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide (CID 174690540) is 2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide is NCc1ccc(-c2cc(-c3cc(C(N)=O)ccc3C(N)=O)[nH]n2)cc1.
What is the InChIKey of 2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide?
The InChIKey is JICFPOUIDKLOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-9-10-1-3-11(4-2-10)15-8-16(23-22-15)14-7-12(17(20)24)5-6-13(14)18(21)25/h1-8H,9,19H2,(H2,20,24)(H2,21,25)(H,22,23).
What are the key properties of 2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide?
2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(aminomethyl)phenyl]-1H-pyrazol-5-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 174690540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).