1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea

C11H13N5O — CID 43540324

IUPAC1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
SMILESNCc1cccc(NC(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C11H13N5O/c12-5-8-2-1-3-9(4-8)15-11(17)16-10-6-13-14-7-10/h1-4,6-7H,5,12H2,(H,13,14)(H2,15,16,17)
InChIKeyCSNOLCSFYQVAEZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.51
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea

1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 43540324) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID43540324
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
SMILESNCc1cccc(NC(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C11H13N5O/c12-5-8-2-1-3-9(4-8)15-11(17)16-10-6-13-14-7-10/h1-4,6-7H,5,12H2,(H,13,14)(H2,15,16,17)
InChIKeyCSNOLCSFYQVAEZ-UHFFFAOYSA-N
XLogP1.51
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea 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

1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide
CID 63283245
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide
CID 62591368
2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide
CID 43539721
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522
2-(3-hydroxyphenyl)-N-(1H-pyrazol-4-yl)acetamide
CID 61399438
1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 63254609

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea (CID 43540324) is 1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea is NCc1cccc(NC(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is CSNOLCSFYQVAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-5-8-2-1-3-9(4-8)15-11(17)16-10-6-13-14-7-10/h1-4,6-7H,5,12H2,(H,13,14)(H2,15,16,17).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea?
1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 231.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 43540324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).