1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea

C15H15N5O — CID 155009990

IUPAC1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea
SMILESO=C(Nc1cn[nH]c1C1=Nc2ccccc2C1)NC1CC1
InChIInChI=1S/C15H15N5O/c21-15(17-10-5-6-10)19-13-8-16-20-14(13)12-7-9-3-1-2-4-11(9)18-12/h1-4,8,10H,5-7H2,(H,16,20)(H2,17,19,21)
InChIKeyWOKBBWPAELHIRM-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.37
Rot. Bonds3

About 1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea

1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea (PubChem CID 155009990) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea
PubChem CID155009990
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea
SMILESO=C(Nc1cn[nH]c1C1=Nc2ccccc2C1)NC1CC1
InChIInChI=1S/C15H15N5O/c21-15(17-10-5-6-10)19-13-8-16-20-14(13)12-7-9-3-1-2-4-11(9)18-12/h1-4,8,10H,5-7H2,(H,16,20)(H2,17,19,21)
InChIKeyWOKBBWPAELHIRM-UHFFFAOYSA-N
XLogP2.37
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea (CID 155009990) is 1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea is O=C(Nc1cn[nH]c1C1=Nc2ccccc2C1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea?
The InChIKey is WOKBBWPAELHIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15(17-10-5-6-10)19-13-8-16-20-14(13)12-7-9-3-1-2-4-11(9)18-12/h1-4,8,10H,5-7H2,(H,16,20)(H2,17,19,21).
What are the key properties of 1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea?
1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea has a molecular weight of 281.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-(3H-indol-2-yl)-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 155009990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).