1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea

C20H23N5O — CID 52626682

IUPAC1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea
SMILESCN(CCCNC(=O)Nc1ccccc1-n1cccn1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-24(17-9-3-2-4-10-17)15-7-13-21-20(26)23-18-11-5-6-12-19(18)25-16-8-14-22-25/h2-6,8-12,14,16H,7,13,15H2,1H3,(H2,21,23,26)
InChIKeyXTBSNHRGMYMUJM-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.52
Rot. Bonds7

About 1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea

1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea (PubChem CID 52626682) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea
PubChem CID52626682
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea
SMILESCN(CCCNC(=O)Nc1ccccc1-n1cccn1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-24(17-9-3-2-4-10-17)15-7-13-21-20(26)23-18-11-5-6-12-19(18)25-16-8-14-22-25/h2-6,8-12,14,16H,7,13,15H2,1H3,(H2,21,23,26)
InChIKeyXTBSNHRGMYMUJM-UHFFFAOYSA-N
XLogP3.52
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55698993
1-[3-(N-methylanilino)propyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55769843
1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea
CID 60616962
1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 3822405
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 47041234
1-[3-(N-methylanilino)propyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 60606672
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081
1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040896
N-[3-(N-methylanilino)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 46551983
1-(2-chloro-4-fluorophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543085

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea (CID 52626682) is 1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea is CN(CCCNC(=O)Nc1ccccc1-n1cccn1)c1ccccc1.
What is the InChIKey of 1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea?
The InChIKey is XTBSNHRGMYMUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24(17-9-3-2-4-10-17)15-7-13-21-20(26)23-18-11-5-6-12-19(18)25-16-8-14-22-25/h2-6,8-12,14,16H,7,13,15H2,1H3,(H2,21,23,26).
What are the key properties of 1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea?
1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea has a molecular weight of 349.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 52626682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).