1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea

C13H17N5O — CID 43133017

IUPAC1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(CN)cc2)n(C)n1
InChIInChI=1S/C13H17N5O/c1-9-7-12(18(2)17-9)16-13(19)15-11-5-3-10(8-14)4-6-11/h3-7H,8,14H2,1-2H3,(H2,15,16,19)
InChIKeyDMCZDLQBIIVBSY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.83
Rot. Bonds3

About 1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea

1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea (PubChem CID 43133017) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea
PubChem CID43133017
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(CN)cc2)n(C)n1
InChIInChI=1S/C13H17N5O/c1-9-7-12(18(2)17-9)16-13(19)15-11-5-3-10(8-14)4-6-11/h3-7H,8,14H2,1-2H3,(H2,15,16,19)
InChIKeyDMCZDLQBIIVBSY-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)phenyl]-3-(2,5-dimethylpyrazol-3-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-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811727
1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339833
1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47363703
N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylanilino)acetamide
CID 86913432
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea
CID 126834804
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742269
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
1-(4-methoxyphenyl)-3-(5-methyl-2-propylpyrazol-3-yl)urea
CID 39853401
1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 106049514
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea (CID 43133017) is 1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(CN)cc2)n(C)n1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
The InChIKey is DMCZDLQBIIVBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-7-12(18(2)17-9)16-13(19)15-11-5-3-10(8-14)4-6-11/h3-7H,8,14H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)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)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 43133017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).