N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

C15H17N5O2 — CID 110272267

IUPACN-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C15H17N5O2/c1-16-14(21)11-9-18-19-13(11)12-5-3-7-20(12)15(22)10-4-2-6-17-8-10/h2,4,6,8-9,12H,3,5,7H2,1H3,(H,16,21)(H,18,19)
InChIKeyMGVVHGJIQXYXIK-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.14
Rot. Bonds3

About N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 110272267) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID110272267
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C15H17N5O2/c1-16-14(21)11-9-18-19-13(11)12-5-3-7-20(12)15(22)10-4-2-6-17-8-10/h2,4,6,8-9,12H,3,5,7H2,1H3,(H,16,21)(H,18,19)
InChIKeyMGVVHGJIQXYXIK-UHFFFAOYSA-N
XLogP1.14
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
2-(pyridin-4-yl)-1H,4H,5H,6H-pyrrolo[2,3-c]pyrrol-4-one
CID 24771196
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
US10022354, Example 5
CID 121279569
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
US10022354, Example 46
CID 121279427
US10022354, Example 47
CID 121279428

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (CID 110272267) is N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C1CCCN1C(=O)c1cccnc1.
What is the InChIKey of N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is MGVVHGJIQXYXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-16-14(21)11-9-18-19-13(11)12-5-3-7-20(12)15(22)10-4-2-6-17-8-10/h2,4,6,8-9,12H,3,5,7H2,1H3,(H,16,21)(H,18,19).
What are the key properties of N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110272267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).