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

C14H19N5O — CID 43778251

IUPACN-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H19N5O/c1-3-16-14(20)10(2)17-8-12-9-18-19-13(12)11-5-4-6-15-7-11/h4-7,9-10,17H,3,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDBWOWTGSKLBOQZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.09
Rot. Bonds6

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

N-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 43778251) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID43778251
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H19N5O/c1-3-16-14(20)10(2)17-8-12-9-18-19-13(12)11-5-4-6-15-7-11/h4-7,9-10,17H,3,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDBWOWTGSKLBOQZ-UHFFFAOYSA-N
XLogP1.09
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.09
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-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide (CID 43778251) is N-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide is CCNC(=O)C(C)NCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of N-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is DBWOWTGSKLBOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-16-14(20)10(2)17-8-12-9-18-19-13(12)11-5-4-6-15-7-11/h4-7,9-10,17H,3,8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of N-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
N-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 43778251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).