5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide

C16H20N6O — CID 75264160

IUPAC5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)nc1)C1CC(C2CC2)NN1
InChIInChI=1S/C16H20N6O/c23-16(14-8-13(20-21-14)12-3-4-12)18-10-11-2-5-15(17-9-11)22-7-1-6-19-22/h1-2,5-7,9,12-14,20-21H,3-4,8,10H2,(H,18,23)
InChIKeyITSJNUPSXRXKMG-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.53
Rot. Bonds5

About 5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide

5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 75264160) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
PubChem CID75264160
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)nc1)C1CC(C2CC2)NN1
InChIInChI=1S/C16H20N6O/c23-16(14-8-13(20-21-14)12-3-4-12)18-10-11-2-5-15(17-9-11)22-7-1-6-19-22/h1-2,5-7,9,12-14,20-21H,3-4,8,10H2,(H,18,23)
InChIKeyITSJNUPSXRXKMG-UHFFFAOYSA-N
XLogP0.53
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986265
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 167866687
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
5-cyclopropyl-N-[[4-(methanesulfonamido)phenyl]methyl]pyrazolidine-3-carboxamide
CID 75613401
5-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75199573
(3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 25345668
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119101015
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 25480347
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119848273

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide (CID 75264160) is 5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide is O=C(NCc1ccc(-n2cccn2)nc1)C1CC(C2CC2)NN1.
What is the InChIKey of 5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is ITSJNUPSXRXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c23-16(14-8-13(20-21-14)12-3-4-12)18-10-11-2-5-15(17-9-11)22-7-1-6-19-22/h1-2,5-7,9,12-14,20-21H,3-4,8,10H2,(H,18,23).
What are the key properties of 5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75264160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).