N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide

C21H20FN5O — CID 90465344

IUPACN-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(-c2cn(C(C)CC#N)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H20FN5O/c1-3-20(28)25-19-12-16(9-11-24-19)18-13-27(14(2)8-10-23)26-21(18)15-4-6-17(22)7-5-15/h4-7,9,11-14H,3,8H2,1-2H3,(H,24,25,28)
InChIKeyJIMYFEPFUGNAMQ-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.57
Rot. Bonds6

About N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide

N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide (PubChem CID 90465344) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide
PubChem CID90465344
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC NameN-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(-c2cn(C(C)CC#N)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H20FN5O/c1-3-20(28)25-19-12-16(9-11-24-19)18-13-27(14(2)8-10-23)26-21(18)15-4-6-17(22)7-5-15/h4-7,9,11-14H,3,8H2,1-2H3,(H,24,25,28)
InChIKeyJIMYFEPFUGNAMQ-UHFFFAOYSA-N
XLogP4.57
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465219
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67107014
N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 67073655
N-[4-[3-(3-cyano-4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 90465098
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465352
N-[3-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide
CID 90465345
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465277
N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465334
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 90465135
N-[4-[6-(4-fluorophenyl)-3-methylpyrazolo[5,1-b][1,3]oxazol-7-yl]-2-pyridinyl]propanamide
CID 135220688
3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 90465355

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide?
The IUPAC name of N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide (CID 90465344) is N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide is CCC(=O)Nc1cc(-c2cn(C(C)CC#N)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide?
The InChIKey is JIMYFEPFUGNAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-3-20(28)25-19-12-16(9-11-24-19)18-13-27(14(2)8-10-23)26-21(18)15-4-6-17(22)7-5-15/h4-7,9,11-14H,3,8H2,1-2H3,(H,24,25,28).
What are the key properties of N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide?
N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide has a molecular weight of 377.42 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 90465344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).