1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea

C13H16N4O — CID 110748862

IUPAC1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
SMILESCC(C)NC(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H16N4O/c1-10(2)15-13(18)16-11-4-6-12(7-5-11)17-9-3-8-14-17/h3-10H,1-2H3,(H2,15,16,18)
InChIKeyWLUIPKYYMLDOBL-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.40
Rot. Bonds3

About 1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea

1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea (PubChem CID 110748862) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
PubChem CID110748862
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
SMILESCC(C)NC(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H16N4O/c1-10(2)15-13(18)16-11-4-6-12(7-5-11)17-9-3-8-14-17/h3-10H,1-2H3,(H2,15,16,18)
InChIKeyWLUIPKYYMLDOBL-UHFFFAOYSA-N
XLogP2.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
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1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 112838345
2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362
(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
CID 61177988
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea (CID 110748862) is 1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea is CC(C)NC(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea?
The InChIKey is WLUIPKYYMLDOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(2)15-13(18)16-11-4-6-12(7-5-11)17-9-3-8-14-17/h3-10H,1-2H3,(H2,15,16,18).
What are the key properties of 1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea?
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea has a molecular weight of 244.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 110748862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).