1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea

C13H17N5O — CID 104593006

IUPAC1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2nn(C)cc2CN)c1
InChIInChI=1S/C13H17N5O/c1-9-4-3-5-11(6-9)15-13(19)16-12-10(7-14)8-18(2)17-12/h3-6,8H,7,14H2,1-2H3,(H2,15,16,17,19)
InChIKeyAWIZHLBVEIJXDV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.83
Rot. Bonds3

About 1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea

1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea (PubChem CID 104593006) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
PubChem CID104593006
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2nn(C)cc2CN)c1
InChIInChI=1S/C13H17N5O/c1-9-4-3-5-11(6-9)15-13(19)16-12-10(7-14)8-18(2)17-12/h3-6,8H,7,14H2,1-2H3,(H2,15,16,17,19)
InChIKeyAWIZHLBVEIJXDV-UHFFFAOYSA-N
XLogP1.83
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)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-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea
CID 104593236
1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
CID 62316078
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide
CID 104592680
1-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-3-(3-methylphenyl)urea
CID 1008073
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(3-methylphenyl)acetamide
CID 115989687
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 104592766
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107339523

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea (CID 104593006) is 1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2nn(C)cc2CN)c1.
What is the InChIKey of 1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea?
The InChIKey is AWIZHLBVEIJXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-4-3-5-11(6-9)15-13(19)16-12-10(7-14)8-18(2)17-12/h3-6,8H,7,14H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea?
1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea has a molecular weight of 259.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 104593006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).