3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole

C13H23N3 — CID 20605552

IUPAC3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole
SMILESCC(C)c1ccn(CCCN2CCCC2)n1
InChIInChI=1S/C13H23N3/c1-12(2)13-6-11-16(14-13)10-5-9-15-7-3-4-8-15/h6,11-12H,3-5,7-10H2,1-2H3
InChIKeyDGGZNKSIVWPVAX-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.49
Rot. Bonds5

About 3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole

3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole (PubChem CID 20605552) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole.

Molecular Properties

Compound Name3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole
PubChem CID20605552
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole
SMILESCC(C)c1ccn(CCCN2CCCC2)n1
InChIInChI=1S/C13H23N3/c1-12(2)13-6-11-16(14-13)10-5-9-15-7-3-4-8-15/h6,11-12H,3-5,7-10H2,1-2H3
InChIKeyDGGZNKSIVWPVAX-UHFFFAOYSA-N
XLogP2.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-1-methyl-1H-pyrazole
CID 12581083
1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 12251378
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CID 63961604
1-Methyl-3-t-butylpyrazole
CID 145633
3-cyclopropyl-1-methyl-1H-pyrazole
CID 23300060
3-cyclopropyl-1-ethyl-1H-pyrazole
CID 25247549
5-cyclopropyl-1-methyl-1H-pyrazole
CID 25247754
2-(1-methyl-1H-pyrazol-3-yl)ethan-1-amine
CID 49757585
2-(1-methyl-1H-pyrazol-3-yl)acetonitrile
CID 50896755
2-(1-ethyl-1H-pyrazol-5-yl)acetonitrile
CID 50896776
4-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989018
4-iodo-1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 75355957

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole?
The IUPAC name of 3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole (CID 20605552) is 3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole.
What is the SMILES notation for 3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole?
The canonical SMILES for 3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole is CC(C)c1ccn(CCCN2CCCC2)n1.
What is the InChIKey of 3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole?
The InChIKey is DGGZNKSIVWPVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12(2)13-6-11-16(14-13)10-5-9-15-7-3-4-8-15/h6,11-12H,3-5,7-10H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole?
3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole has a molecular weight of 221.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole is sourced from PubChem (CID 20605552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).