N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide

C16H15N5O — CID 75975429

IUPACN-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CC(c3ccncc3)NN2)c1
InChIInChI=1S/C16H15N5O/c17-10-11-2-1-3-13(8-11)19-16(22)15-9-14(20-21-15)12-4-6-18-7-5-12/h1-8,14-15,20-21H,9H2,(H,19,22)
InChIKeyMOHDFVPHEMBLRD-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.50
Rot. Bonds3

About N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide

N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide (PubChem CID 75975429) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
PubChem CID75975429
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CC(c3ccncc3)NN2)c1
InChIInChI=1S/C16H15N5O/c17-10-11-2-1-3-13(8-11)19-16(22)15-9-14(20-21-15)12-4-6-18-7-5-12/h1-8,14-15,20-21H,9H2,(H,19,22)
InChIKeyMOHDFVPHEMBLRD-UHFFFAOYSA-N
XLogP1.50
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535
(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 104900460
N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75975436
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75975474
(1R,2R,4S)-N-(3-cyanophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98368145
N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide
CID 110696889

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide (CID 75975429) is N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide is N#Cc1cccc(NC(=O)C2CC(c3ccncc3)NN2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The InChIKey is MOHDFVPHEMBLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-10-11-2-1-3-13(8-11)19-16(22)15-9-14(20-21-15)12-4-6-18-7-5-12/h1-8,14-15,20-21H,9H2,(H,19,22).
What are the key properties of N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75975429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).