2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide

C22H21N5O — CID 174835235

IUPAC2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide
SMILESCC1(c2ccc(C(C(N)=O)c3ccn(Cc4ccc(C#N)cn4)n3)cc2)CC1
InChIInChI=1S/C22H21N5O/c1-22(9-10-22)17-5-3-16(4-6-17)20(21(24)28)19-8-11-27(26-19)14-18-7-2-15(12-23)13-25-18/h2-8,11,13,20H,9-10,14H2,1H3,(H2,24,28)
InChIKeyDAZZNDBTAKXGTD-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.87
Rot. Bonds6

About 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide

2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide (PubChem CID 174835235) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide
PubChem CID174835235
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide
SMILESCC1(c2ccc(C(C(N)=O)c3ccn(Cc4ccc(C#N)cn4)n3)cc2)CC1
InChIInChI=1S/C22H21N5O/c1-22(9-10-22)17-5-3-16(4-6-17)20(21(24)28)19-8-11-27(26-19)14-18-7-2-15(12-23)13-25-18/h2-8,11,13,20H,9-10,14H2,1H3,(H2,24,28)
InChIKeyDAZZNDBTAKXGTD-UHFFFAOYSA-N
XLogP2.87
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 175827130
2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 174835305
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide
CID 170649386
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 175984618
6-(aminooxymethyl)pyridine-3-carbonitrile
CID 59479137
6-(propan-2-yloxymethyl)pyridine-3-carbonitrile
CID 58495606
(3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide
CID 154635625
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
(5-cyano-2-pyridinyl)methyl 4-oxopentanoate
CID 166180049
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 118560580
3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 126740685

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide?
The IUPAC name of 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide (CID 174835235) is 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide?
The canonical SMILES for 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide is CC1(c2ccc(C(C(N)=O)c3ccn(Cc4ccc(C#N)cn4)n3)cc2)CC1.
What is the InChIKey of 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide?
The InChIKey is DAZZNDBTAKXGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-22(9-10-22)17-5-3-16(4-6-17)20(21(24)28)19-8-11-27(26-19)14-18-7-2-15(12-23)13-25-18/h2-8,11,13,20H,9-10,14H2,1H3,(H2,24,28).
What are the key properties of 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide?
2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide is sourced from PubChem (CID 174835235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).