1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane

C16H24FN5O — CID 145298054

IUPAC1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane
SMILESCC.Cc1nn(CCN)c(C)c1C(=O)NCc1ncccc1F
InChIInChI=1S/C14H18FN5O.C2H6/c1-9-13(10(2)20(19-9)7-5-16)14(21)18-8-12-11(15)4-3-6-17-12;1-2/h3-4,6H,5,7-8,16H2,1-2H3,(H,18,21);1-2H3
InChIKeyBFMNZMWJLRZXCN-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.95
Rot. Bonds5

About 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane

1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane (PubChem CID 145298054) has the molecular formula C16H24FN5O and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane
PubChem CID145298054
Molecular FormulaC16H24FN5O
Molecular Weight321.40 g/mol
Exact Mass321.20
IUPAC Name1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane
SMILESCC.Cc1nn(CCN)c(C)c1C(=O)NCc1ncccc1F
InChIInChI=1S/C14H18FN5O.C2H6/c1-9-13(10(2)20(19-9)7-5-16)14(21)18-8-12-11(15)4-3-6-17-12;1-2/h3-4,6H,5,7-8,16H2,1-2H3,(H,18,21);1-2H3
InChIKeyBFMNZMWJLRZXCN-UHFFFAOYSA-N
XLogP1.95
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride
CID 129052683
1-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 129066945
tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate
CID 129052316
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 129052705
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide
CID 98852588
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 135356148
3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 110474855
2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide
CID 71967685
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(2-amino-3-pyridinyl)methyl]propanamide
CID 122564036
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 129052585
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 119105901

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane?
The IUPAC name of 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane (CID 145298054) is 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane?
The canonical SMILES for 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane is CC.Cc1nn(CCN)c(C)c1C(=O)NCc1ncccc1F.
What is the InChIKey of 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane?
The InChIKey is BFMNZMWJLRZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O.C2H6/c1-9-13(10(2)20(19-9)7-5-16)14(21)18-8-12-11(15)4-3-6-17-12;1-2/h3-4,6H,5,7-8,16H2,1-2H3,(H,18,21);1-2H3.
What are the key properties of 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane?
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane has a molecular weight of 321.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane is sourced from PubChem (CID 145298054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).