5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile

C14H12F3N5O — CID 22310061

IUPAC5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile
SMILESN#Cc1c(C2CCCO2)nn(-c2ccc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C14H12F3N5O/c15-14(16,17)8-3-4-11(20-7-8)22-13(19)9(6-18)12(21-22)10-2-1-5-23-10/h3-4,7,10H,1-2,5,19H2
InChIKeyVAOXQLGVHQAVOM-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.59
Rot. Bonds2

About 5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile

5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile (PubChem CID 22310061) has the molecular formula C14H12F3N5O and a molecular weight of 323.28 g/mol. Its IUPAC name is 5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile
PubChem CID22310061
Molecular FormulaC14H12F3N5O
Molecular Weight323.28 g/mol
Exact Mass323.10
IUPAC Name5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile
SMILESN#Cc1c(C2CCCO2)nn(-c2ccc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C14H12F3N5O/c15-14(16,17)8-3-4-11(20-7-8)22-13(19)9(6-18)12(21-22)10-2-1-5-23-10/h3-4,7,10H,1-2,5,19H2
InChIKeyVAOXQLGVHQAVOM-UHFFFAOYSA-N
XLogP2.59
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide
CID 124522610
5-amino-1-(5-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102796719
3-cyclopentyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine
CID 83205345
4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24508507
2-[4-(trifluoromethyl)phenyl]oxolane
CID 72665644
2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine
CID 63353595
1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 114908402
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 60507259
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
4-chloro-5-[cyclohexylmethyl(methyl)amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 25470822
2-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine
CID 110113388

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile (CID 22310061) is 5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile is N#Cc1c(C2CCCO2)nn(-c2ccc(C(F)(F)F)cn2)c1N.
What is the InChIKey of 5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
The InChIKey is VAOXQLGVHQAVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O/c15-14(16,17)8-3-4-11(20-7-8)22-13(19)9(6-18)12(21-22)10-2-1-5-23-10/h3-4,7,10H,1-2,5,19H2.
What are the key properties of 5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile has a molecular weight of 323.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 22310061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).