1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea

C19H24N4O — CID 119071445

IUPAC1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCCn1cc(CNC(=O)N(C/C=C/c2ccccc2)C2CC2)cn1
InChIInChI=1S/C19H24N4O/c1-2-22-15-17(14-21-22)13-20-19(24)23(18-10-11-18)12-6-9-16-7-4-3-5-8-16/h3-9,14-15,18H,2,10-13H2,1H3,(H,20,24)/b9-6+
InChIKeyRGZFOJLULFHEFO-RMKNXTFCSA-N
MW324.43 g/mol
LogP3.29
Rot. Bonds7

About 1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea

1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea (PubChem CID 119071445) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea
PubChem CID119071445
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCCn1cc(CNC(=O)N(C/C=C/c2ccccc2)C2CC2)cn1
InChIInChI=1S/C19H24N4O/c1-2-22-15-17(14-21-22)13-20-19(24)23(18-10-11-18)12-6-9-16-7-4-3-5-8-16/h3-9,14-15,18H,2,10-13H2,1H3,(H,20,24)/b9-6+
InChIKeyRGZFOJLULFHEFO-RMKNXTFCSA-N
XLogP3.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526497
(4-Benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone
CID 118526594
4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526618
4-cyano-N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526846
4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526906
N-(2-phenylcyclopropyl)-4-(1H-pyrazol-1-yl)piperidine-1-carboxamide
CID 45273373
4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526406
3-[2-(1,3-Dihydroisoindol-2-yl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 72151344
1,1-Diethyl-3-[2-(3-phenylpyrazol-1-yl)ethyl]urea
CID 155521177
1-[2-(3-Phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea
CID 155539580

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea (CID 119071445) is 1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea is CCn1cc(CNC(=O)N(C/C=C/c2ccccc2)C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The InChIKey is RGZFOJLULFHEFO-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-22-15-17(14-21-22)13-20-19(24)23(18-10-11-18)12-6-9-16-7-4-3-5-8-16/h3-9,14-15,18H,2,10-13H2,1H3,(H,20,24)/b9-6+.
What are the key properties of 1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea?
1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea has a molecular weight of 324.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 119071445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).