1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea

C14H18N6O — CID 167867415

IUPAC1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea
SMILESCC(C)c1nccnc1NC(=O)Nc1cn[nH]c1C1CC1
InChIInChI=1S/C14H18N6O/c1-8(2)11-13(16-6-5-15-11)19-14(21)18-10-7-17-20-12(10)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,17,20)(H2,16,18,19,21)
InChIKeyKWTRVETZSNOJPB-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.84
Rot. Bonds4

About 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea

1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea (PubChem CID 167867415) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea
PubChem CID167867415
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea
SMILESCC(C)c1nccnc1NC(=O)Nc1cn[nH]c1C1CC1
InChIInChI=1S/C14H18N6O/c1-8(2)11-13(16-6-5-15-11)19-14(21)18-10-7-17-20-12(10)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,17,20)(H2,16,18,19,21)
InChIKeyKWTRVETZSNOJPB-UHFFFAOYSA-N
XLogP2.84
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea (CID 167867415) is 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea is CC(C)c1nccnc1NC(=O)Nc1cn[nH]c1C1CC1.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea?
The InChIKey is KWTRVETZSNOJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-8(2)11-13(16-6-5-15-11)19-14(21)18-10-7-17-20-12(10)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,17,20)(H2,16,18,19,21).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea?
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea has a molecular weight of 286.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea is sourced from PubChem (CID 167867415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).