1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea

C14H18N4O — CID 34695105

IUPAC1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea
SMILESCc1[nH]ncc1CCCNC(=O)Nc1ccccc1
InChIInChI=1S/C14H18N4O/c1-11-12(10-16-18-11)6-5-9-15-14(19)17-13-7-3-2-4-8-13/h2-4,7-8,10H,5-6,9H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyCAXAZGHFPTUXJT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.47
Rot. Bonds5

About 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea

1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea (PubChem CID 34695105) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea
PubChem CID34695105
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea
SMILESCc1[nH]ncc1CCCNC(=O)Nc1ccccc1
InChIInChI=1S/C14H18N4O/c1-11-12(10-16-18-11)6-5-9-15-14(19)17-13-7-3-2-4-8-13/h2-4,7-8,10H,5-6,9H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyCAXAZGHFPTUXJT-UHFFFAOYSA-N
XLogP2.47
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea?
The IUPAC name of 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea (CID 34695105) is 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea?
The canonical SMILES for 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea is Cc1[nH]ncc1CCCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea?
The InChIKey is CAXAZGHFPTUXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-12(10-16-18-11)6-5-9-15-14(19)17-13-7-3-2-4-8-13/h2-4,7-8,10H,5-6,9H2,1H3,(H,16,18)(H2,15,17,19).
What are the key properties of 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea?
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea has a molecular weight of 258.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea is sourced from PubChem (CID 34695105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).