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

C17H21N5O2 — CID 121279589

IUPACN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3cccnc3)C2)n[nH]1
InChIInChI=1S/C17H21N5O2/c1-11(2)14-8-15(21-20-14)17(24)22-7-5-13(10-22)19-16(23)12-4-3-6-18-9-12/h3-4,6,8-9,11,13H,5,7,10H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyOSNKYAPDWXRVDM-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.57
Rot. Bonds4

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

N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 121279589) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID121279589
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3cccnc3)C2)n[nH]1
InChIInChI=1S/C17H21N5O2/c1-11(2)14-8-15(21-20-14)17(24)22-7-5-13(10-22)19-16(23)12-4-3-6-18-9-12/h3-4,6,8-9,11,13H,5,7,10H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyOSNKYAPDWXRVDM-UHFFFAOYSA-N
XLogP1.57
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
US10022354, Example 71
CID 121279677
US10022354, Example 45
CID 121279684

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide (CID 121279589) is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)c3cccnc3)C2)n[nH]1.
What is the InChIKey of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is OSNKYAPDWXRVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(2)14-8-15(21-20-14)17(24)22-7-5-13(10-22)19-16(23)12-4-3-6-18-9-12/h3-4,6,8-9,11,13H,5,7,10H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121279589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).