3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile

C14H15N5 — CID 130454552

IUPAC3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile
SMILESCC1CN(C#N)CC1c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C14H15N5/c1-10-7-19(9-15)8-12(10)14-6-13(17-18-14)11-2-4-16-5-3-11/h2-6,10,12H,7-8H2,1H3,(H,17,18)
InChIKeyGTTHGGZSJLFSSI-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.99
Rot. Bonds2

About 3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile

3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile (PubChem CID 130454552) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile
PubChem CID130454552
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile
SMILESCC1CN(C#N)CC1c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C14H15N5/c1-10-7-19(9-15)8-12(10)14-6-13(17-18-14)11-2-4-16-5-3-11/h2-6,10,12H,7-8H2,1H3,(H,17,18)
InChIKeyGTTHGGZSJLFSSI-UHFFFAOYSA-N
XLogP1.99
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-3-methyl-4-(3-phenyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile
CID 130454492
3-methyl-4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 155211393
3-[3-(3-pyridin-4-ylphenyl)-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 130454580
3-[3-(4-phenyl-2-pyridinyl)-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 130454663
ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine
CID 144864305
N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126830172
2,3,3-trimethyl-1-[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 122153584
2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 126836431
(3S)-3-[3-[3-(1,2-oxazol-4-yl)phenyl]-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 165112450
3-[3-[3-(1,2-oxazol-4-yl)phenyl]-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 130454562
N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126822230
5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride
CID 20527782

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile?
The IUPAC name of 3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile (CID 130454552) is 3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile.
What is the SMILES notation for 3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile?
The canonical SMILES for 3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile is CC1CN(C#N)CC1c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of 3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile?
The InChIKey is GTTHGGZSJLFSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-7-19(9-15)8-12(10)14-6-13(17-18-14)11-2-4-16-5-3-11/h2-6,10,12H,7-8H2,1H3,(H,17,18).
What are the key properties of 3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile?
3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidine-1-carbonitrile is sourced from PubChem (CID 130454552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).