4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole

C10H17N3 — CID 86029531

IUPAC4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole
SMILESc1n[nH]cc1CCCN1CCCC1
InChIInChI=1S/C10H17N3/c1-2-6-13(5-1)7-3-4-10-8-11-12-9-10/h8-9H,1-7H2,(H,11,12)
InChIKeyMSQBFWARPDIAAX-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.44
Rot. Bonds4

About 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole

4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole (PubChem CID 86029531) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole
PubChem CID86029531
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole
SMILESc1n[nH]cc1CCCN1CCCC1
InChIInChI=1S/C10H17N3/c1-2-6-13(5-1)7-3-4-10-8-11-12-9-10/h8-9H,1-7H2,(H,11,12)
InChIKeyMSQBFWARPDIAAX-UHFFFAOYSA-N
XLogP1.44
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole?
The IUPAC name of 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole (CID 86029531) is 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole.
What is the SMILES notation for 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole?
The canonical SMILES for 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole is c1n[nH]cc1CCCN1CCCC1.
What is the InChIKey of 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole?
The InChIKey is MSQBFWARPDIAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-6-13(5-1)7-3-4-10-8-11-12-9-10/h8-9H,1-7H2,(H,11,12).
What are the key properties of 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole?
4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole is sourced from PubChem (CID 86029531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).