N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide

C15H21N5O — CID 43781298

IUPACN-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCCCNC(=O)C(C)NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C15H21N5O/c1-3-6-17-15(21)11(2)18-9-13-10-19-20-14(13)12-5-4-7-16-8-12/h4-5,7-8,10-11,18H,3,6,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyIXFAMYDJQWAYBE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.48
Rot. Bonds7

About N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide

N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 43781298) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID43781298
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCCCNC(=O)C(C)NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C15H21N5O/c1-3-6-17-15(21)11(2)18-9-13-10-19-20-14(13)12-5-4-7-16-8-12/h4-5,7-8,10-11,18H,3,6,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyIXFAMYDJQWAYBE-UHFFFAOYSA-N
XLogP1.48
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-pyrazol-5-yl)pyridine
CID 7074967
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]propanamide
CID 25025104
3-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6871425
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
4-(1H-Pyrazol-3-yl)pyridine
CID 16412755
4-[3-(Pyridin-4-Yl)-2,4,6,7-Tetrahydro-5h-Pyrazolo[4,3-C]pyridin-5-Yl]pyridin-2(1h)-One
CID 91819626
3-(5-Methyl-1H-pyrazol-3-yl)pyridine
CID 12707229
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)acetamide
CID 1259244
5-tert-butyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5726253
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide (CID 43781298) is N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide is CCCNC(=O)C(C)NCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is IXFAMYDJQWAYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-6-17-15(21)11(2)18-9-13-10-19-20-14(13)12-5-4-7-16-8-12/h4-5,7-8,10-11,18H,3,6,9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 287.37 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 43781298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).