1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea

C11H19N5O — CID 71893198

IUPAC1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
SMILESCC(CNC(=O)Nc1cn[nH]c1)N1CCCC1
InChIInChI=1S/C11H19N5O/c1-9(16-4-2-3-5-16)6-12-11(17)15-10-7-13-14-8-10/h7-9H,2-6H2,1H3,(H,13,14)(H2,12,15,17)
InChIKeyCRCQXNGIELGGQU-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.02
Rot. Bonds4

About 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea

1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea (PubChem CID 71893198) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
PubChem CID71893198
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
SMILESCC(CNC(=O)Nc1cn[nH]c1)N1CCCC1
InChIInChI=1S/C11H19N5O/c1-9(16-4-2-3-5-16)6-12-11(17)15-10-7-13-14-8-10/h7-9H,2-6H2,1H3,(H,13,14)(H2,12,15,17)
InChIKeyCRCQXNGIELGGQU-UHFFFAOYSA-N
XLogP1.02
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea (CID 71893198) is 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea is CC(CNC(=O)Nc1cn[nH]c1)N1CCCC1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea?
The InChIKey is CRCQXNGIELGGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9(16-4-2-3-5-16)6-12-11(17)15-10-7-13-14-8-10/h7-9H,2-6H2,1H3,(H,13,14)(H2,12,15,17).
What are the key properties of 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea?
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea has a molecular weight of 237.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 71893198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).