5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide

C16H22N6O — CID 52986650

IUPAC5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
SMILESCC(C)C1CC(C(=O)NCc2cccnc2-n2cccn2)NN1
InChIInChI=1S/C16H22N6O/c1-11(2)13-9-14(21-20-13)16(23)18-10-12-5-3-6-17-15(12)22-8-4-7-19-22/h3-8,11,13-14,20-21H,9-10H2,1-2H3,(H,18,23)
InChIKeyXQSQGVPTUKASHA-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.77
Rot. Bonds5

About 5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide

5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 52986650) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
PubChem CID52986650
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
SMILESCC(C)C1CC(C(=O)NCc2cccnc2-n2cccn2)NN1
InChIInChI=1S/C16H22N6O/c1-11(2)13-9-14(21-20-13)16(23)18-10-12-5-3-6-17-15(12)22-8-4-7-19-22/h3-8,11,13-14,20-21H,9-10H2,1-2H3,(H,18,23)
InChIKeyXQSQGVPTUKASHA-UHFFFAOYSA-N
XLogP0.77
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120632731
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632730
2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 46431766
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
(2S,3R)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 38431207
3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride
CID 122084280
5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986476
(4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94172494
(3R)-1-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydroisochromene-3-carboxamide
CID 31926300
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide
CID 75267831

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide (CID 52986650) is 5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide is CC(C)C1CC(C(=O)NCc2cccnc2-n2cccn2)NN1.
What is the InChIKey of 5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is XQSQGVPTUKASHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11(2)13-9-14(21-20-13)16(23)18-10-12-5-3-6-17-15(12)22-8-4-7-19-22/h3-8,11,13-14,20-21H,9-10H2,1-2H3,(H,18,23).
What are the key properties of 5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 52986650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).