1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea

C12H15N5O — CID 47250982

IUPAC1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
SMILESCC(Cn1cccn1)NC(=O)Nc1ccccn1
InChIInChI=1S/C12H15N5O/c1-10(9-17-8-4-7-14-17)15-12(18)16-11-5-2-3-6-13-11/h2-8,10H,9H2,1H3,(H2,13,15,16,18)
InChIKeyOBBOPOGQPBLYPE-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.49
Rot. Bonds4

About 1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea

1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea (PubChem CID 47250982) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
PubChem CID47250982
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
SMILESCC(Cn1cccn1)NC(=O)Nc1ccccn1
InChIInChI=1S/C12H15N5O/c1-10(9-17-8-4-7-14-17)15-12(18)16-11-5-2-3-6-13-11/h2-8,10H,9H2,1H3,(H2,13,15,16,18)
InChIKeyOBBOPOGQPBLYPE-UHFFFAOYSA-N
XLogP1.49
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 97087982
1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027605
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95135121
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191680
1-(3-hydroxy-3-phenylbutyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 138044191
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 94164669
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94163440
1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101958
3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61460931

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea (CID 47250982) is 1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea is CC(Cn1cccn1)NC(=O)Nc1ccccn1.
What is the InChIKey of 1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea?
The InChIKey is OBBOPOGQPBLYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-10(9-17-8-4-7-14-17)15-12(18)16-11-5-2-3-6-13-11/h2-8,10H,9H2,1H3,(H2,13,15,16,18).
What are the key properties of 1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea?
1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea has a molecular weight of 245.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 47250982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).