N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide

C13H9ClF3N5O — CID 13373127

IUPACN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide
SMILESCCC(=O)Nc1c(C#N)cnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H9ClF3N5O/c1-2-10(23)21-11-7(4-18)5-20-22(11)12-9(14)3-8(6-19-12)13(15,16)17/h3,5-6H,2H2,1H3,(H,21,23)
InChIKeyQDFRNIXLGJFJBJ-UHFFFAOYSA-N
MW343.70 g/mol
LogP3.16
Rot. Bonds3

About N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide (PubChem CID 13373127) has the molecular formula C13H9ClF3N5O and a molecular weight of 343.70 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide
PubChem CID13373127
Molecular FormulaC13H9ClF3N5O
Molecular Weight343.70 g/mol
Exact Mass343.04
IUPAC NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide
SMILESCCC(=O)Nc1c(C#N)cnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H9ClF3N5O/c1-2-10(23)21-11-7(4-18)5-20-22(11)12-9(14)3-8(6-19-12)13(15,16)17/h3,5-6H,2H2,1H3,(H,21,23)
InChIKeyQDFRNIXLGJFJBJ-UHFFFAOYSA-N
XLogP3.16
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.70
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 3851582
N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]butanamide
CID 13127718
N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-methylbutanamide
CID 13127609
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile
CID 19020335
(2-methoxy-2-oxoethyl) 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]prop-2-enoate
CID 67855010
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
N-[1-[3-chloro-5-(trifluoromethoxy)-2-pyridinyl]-4-nitropyrazol-5-yl]propanamide
CID 57112938
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
CID 43168599
N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
N-[4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]cyclobutanecarboxamide
CID 13127610
methyl 2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]amino]acetate
CID 13281514
N-[1-[3,6-dichloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitropyrazol-5-yl]propanamide
CID 10883837

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide?
The IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide (CID 13373127) is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide.
What is the SMILES notation for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide?
The canonical SMILES for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide is CCC(=O)Nc1c(C#N)cnn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide?
The InChIKey is QDFRNIXLGJFJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N5O/c1-2-10(23)21-11-7(4-18)5-20-22(11)12-9(14)3-8(6-19-12)13(15,16)17/h3,5-6H,2H2,1H3,(H,21,23).
What are the key properties of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide?
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide has a molecular weight of 343.70 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide is sourced from PubChem (CID 13373127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).