1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea

C19H28N4O — CID 86999484

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea
SMILESCc1cc(C)n(CCCNC(=O)NC(c2ccccc2)C(C)C)n1
InChIInChI=1S/C19H28N4O/c1-14(2)18(17-9-6-5-7-10-17)21-19(24)20-11-8-12-23-16(4)13-15(3)22-23/h5-7,9-10,13-14,18H,8,11-12H2,1-4H3,(H2,20,21,24)
InChIKeyXQRZLPFGWUBHJV-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.59
Rot. Bonds7

About 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea (PubChem CID 86999484) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea
PubChem CID86999484
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea
SMILESCc1cc(C)n(CCCNC(=O)NC(c2ccccc2)C(C)C)n1
InChIInChI=1S/C19H28N4O/c1-14(2)18(17-9-6-5-7-10-17)21-19(24)20-11-8-12-23-16(4)13-15(3)22-23/h5-7,9-10,13-14,18H,8,11-12H2,1-4H3,(H2,20,21,24)
InChIKeyXQRZLPFGWUBHJV-UHFFFAOYSA-N
XLogP3.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 52513677
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
(2S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 29218907
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
(2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid
CID 107567749
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide
CID 114538986
2-chloro-N-[(2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 30954815
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea
CID 86999446
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 78880670
2-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119179433

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea (CID 86999484) is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea is Cc1cc(C)n(CCCNC(=O)NC(c2ccccc2)C(C)C)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea?
The InChIKey is XQRZLPFGWUBHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14(2)18(17-9-6-5-7-10-17)21-19(24)20-11-8-12-23-16(4)13-15(3)22-23/h5-7,9-10,13-14,18H,8,11-12H2,1-4H3,(H2,20,21,24).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea?
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea has a molecular weight of 328.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea is sourced from PubChem (CID 86999484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).