1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea

C19H24N6O — CID 72842549

IUPAC1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C19H24N6O/c1-14-18(15(2)23-22-14)9-5-11-24(3)19(26)21-16-7-4-8-17(13-16)25-12-6-10-20-25/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyFMQPTDCHQHHGEL-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.31
Rot. Bonds6

About 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea (PubChem CID 72842549) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
PubChem CID72842549
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C19H24N6O/c1-14-18(15(2)23-22-14)9-5-11-24(3)19(26)21-16-7-4-8-17(13-16)25-12-6-10-20-25/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyFMQPTDCHQHHGEL-UHFFFAOYSA-N
XLogP3.31
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)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-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
CID 47223913
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
CID 74233918
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide
CID 119059144
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
CID 72904070
(E)-N-(3-pyrazol-1-ylphenyl)but-2-enamide
CID 110470249
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 51954037
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea (CID 72842549) is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea is Cc1n[nH]c(C)c1CCCN(C)C(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea?
The InChIKey is FMQPTDCHQHHGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-14-18(15(2)23-22-14)9-5-11-24(3)19(26)21-16-7-4-8-17(13-16)25-12-6-10-20-25/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,21,26)(H,22,23).
What are the key properties of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea?
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea has a molecular weight of 352.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 72842549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).