1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile

C17H14F2N6 — CID 126947830

IUPAC1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCN(c3nc(C(F)F)nc4ccccc34)C2)c1
InChIInChI=1S/C17H14F2N6/c18-15(19)16-22-14-4-2-1-3-13(14)17(23-16)24-6-5-12(10-24)25-9-11(7-20)8-21-25/h1-4,8-9,12,15H,5-6,10H2
InChIKeyJADAAOKLSNQPLJ-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.09
Rot. Bonds3

About 1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile

1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126947830) has the molecular formula C17H14F2N6 and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126947830
Molecular FormulaC17H14F2N6
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCN(c3nc(C(F)F)nc4ccccc34)C2)c1
InChIInChI=1S/C17H14F2N6/c18-15(19)16-22-14-4-2-1-3-13(14)17(23-16)24-6-5-12(10-24)25-9-11(7-20)8-21-25/h1-4,8-9,12,15H,5-6,10H2
InChIKeyJADAAOKLSNQPLJ-UHFFFAOYSA-N
XLogP3.09
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947693
1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947907
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline
CID 133308282
7-amino-2-[2-(difluoromethyl)quinazolin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 167789766
1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile
CID 126900803
4-[2-(difluoromethyl)quinazolin-4-yl]-2-methyl-1,4-oxazepane
CID 154836416
1-[(3S)-1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 100676372
1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947717
(9aS)-2-[2-(difluoromethyl)quinazolin-4-yl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
CID 96533877
2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126947868
1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900886

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile (CID 126947830) is 1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CCN(c3nc(C(F)F)nc4ccccc34)C2)c1.
What is the InChIKey of 1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is JADAAOKLSNQPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N6/c18-15(19)16-22-14-4-2-1-3-13(14)17(23-16)24-6-5-12(10-24)25-9-11(7-20)8-21-25/h1-4,8-9,12,15H,5-6,10H2.
What are the key properties of 1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile?
1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 340.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126947830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).