5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole

C13H15N3 — CID 141365895

IUPAC5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole
SMILESc1cc(-c2ccn[nH]2)cc(N2CCCC2)c1
InChIInChI=1S/C13H15N3/c1-2-9-16(8-1)12-5-3-4-11(10-12)13-6-7-14-15-13/h3-7,10H,1-2,8-9H2,(H,14,15)
InChIKeyDKWXYXWLFDNFRH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.68
Rot. Bonds2

About 5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole

5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole (PubChem CID 141365895) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole
PubChem CID141365895
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole
SMILESc1cc(-c2ccn[nH]2)cc(N2CCCC2)c1
InChIInChI=1S/C13H15N3/c1-2-9-16(8-1)12-5-3-4-11(10-12)13-6-7-14-15-13/h3-7,10H,1-2,8-9H2,(H,14,15)
InChIKeyDKWXYXWLFDNFRH-UHFFFAOYSA-N
XLogP2.68
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]piperazine
CID 31074314
(3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide
CID 31073994
2-(3-pyrrolidin-1-ylphenyl)pyrimidine
CID 168513243
1-propan-2-yl-4-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]-1,4-diazepane
CID 31105427
3-(3-piperidin-1-ylphenyl)pyridine
CID 166240155
4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine
CID 31016874
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
1-[3-(4-chlorophenyl)phenyl]pyrrolidine
CID 168512665
[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 28881895
5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole
CID 138542816
2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine
CID 77095916
5-(3-cyclobutyloxyphenyl)-1H-pyrazole
CID 175709827

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole?
The IUPAC name of 5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole (CID 141365895) is 5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole is c1cc(-c2ccn[nH]2)cc(N2CCCC2)c1.
What is the InChIKey of 5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole?
The InChIKey is DKWXYXWLFDNFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-9-16(8-1)12-5-3-4-11(10-12)13-6-7-14-15-13/h3-7,10H,1-2,8-9H2,(H,14,15).
What are the key properties of 5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole?
5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole has a molecular weight of 213.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole is sourced from PubChem (CID 141365895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).