2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole

C10H15N3 — CID 69493047

IUPAC2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole
SMILESC1=CNN(CCCc2cc[nH]c2)C1
InChIInChI=1S/C10H15N3/c1(3-10-4-6-11-9-10)7-13-8-2-5-12-13/h2,4-6,9,11-12H,1,3,7-8H2
InChIKeyJMDFHOWRYPCGMV-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.28
Rot. Bonds4

About 2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole

2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole (PubChem CID 69493047) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole.

Molecular Properties

Compound Name2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole
PubChem CID69493047
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole
SMILESC1=CNN(CCCc2cc[nH]c2)C1
InChIInChI=1S/C10H15N3/c1(3-10-4-6-11-9-10)7-13-8-2-5-12-13/h2,4-6,9,11-12H,1,3,7-8H2
InChIKeyJMDFHOWRYPCGMV-UHFFFAOYSA-N
XLogP1.28
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole?
The IUPAC name of 2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole (CID 69493047) is 2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole.
What is the SMILES notation for 2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole?
The canonical SMILES for 2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole is C1=CNN(CCCc2cc[nH]c2)C1.
What is the InChIKey of 2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole?
The InChIKey is JMDFHOWRYPCGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1(3-10-4-6-11-9-10)7-13-8-2-5-12-13/h2,4-6,9,11-12H,1,3,7-8H2.
What are the key properties of 2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole?
2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole has a molecular weight of 177.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrrol-3-yl)propyl]-1,3-dihydropyrazole is sourced from PubChem (CID 69493047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).