1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

C14H18N4O — CID 94116600

IUPAC1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCc1ccc(NC(=O)N[C@H](C)Cn2cccn2)cc1
InChIInChI=1S/C14H18N4O/c1-11-4-6-13(7-5-11)17-14(19)16-12(2)10-18-9-3-8-15-18/h3-9,12H,10H2,1-2H3,(H2,16,17,19)/t12-/m1/s1
InChIKeyLDNXLXVGMWSLJQ-GFCCVEGCSA-N
MW258.32 g/mol
LogP2.40
Rot. Bonds4

About 1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 94116600) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID94116600
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCc1ccc(NC(=O)N[C@H](C)Cn2cccn2)cc1
InChIInChI=1S/C14H18N4O/c1-11-4-6-13(7-5-11)17-14(19)16-12(2)10-18-9-3-8-15-18/h3-9,12H,10H2,1-2H3,(H2,16,17,19)/t12-/m1/s1
InChIKeyLDNXLXVGMWSLJQ-GFCCVEGCSA-N
XLogP2.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
CID 47250982
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CID 94164669
1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027605
2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride
CID 120670649
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191680
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94163440
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 97087982
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101958

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (CID 94116600) is 1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is Cc1ccc(NC(=O)N[C@H](C)Cn2cccn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is LDNXLXVGMWSLJQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-4-6-13(7-5-11)17-14(19)16-12(2)10-18-9-3-8-15-18/h3-9,12H,10H2,1-2H3,(H2,16,17,19)/t12-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 258.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94116600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).