1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

C19H26N4O2 — CID 87038237

IUPAC1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESCC(C)C(NC(=O)Nc1cnn(CC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-14(2)18(15-7-4-3-5-8-15)22-19(24)21-16-11-20-23(12-16)13-17-9-6-10-25-17/h3-5,7-8,11-12,14,17-18H,6,9-10,13H2,1-2H3,(H2,21,22,24)
InChIKeyICQSCMBOTGORED-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.58
Rot. Bonds6

About 1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (PubChem CID 87038237) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
PubChem CID87038237
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESCC(C)C(NC(=O)Nc1cnn(CC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-14(2)18(15-7-4-3-5-8-15)22-19(24)21-16-11-20-23(12-16)13-17-9-6-10-25-17/h3-5,7-8,11-12,14,17-18H,6,9-10,13H2,1-2H3,(H2,21,22,24)
InChIKeyICQSCMBOTGORED-UHFFFAOYSA-N
XLogP3.58
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459
N-butan-2-yl-2-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamoylamino]propanamide
CID 86863097
(2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide
CID 129354476
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038599
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 47070427
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991
3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 62851309

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (CID 87038237) is 1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is CC(C)C(NC(=O)Nc1cnn(CC2CCCO2)c1)c1ccccc1.
What is the InChIKey of 1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The InChIKey is ICQSCMBOTGORED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)18(15-7-4-3-5-8-15)22-19(24)21-16-11-20-23(12-16)13-17-9-6-10-25-17/h3-5,7-8,11-12,14,17-18H,6,9-10,13H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 87038237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).