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

C14H20Cl2FN5O — CID 129052683

IUPAC1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride
SMILESCc1nn(CCN)c(C)c1C(=O)NCc1ncccc1F.Cl.Cl
InChIInChI=1S/C14H18FN5O.2ClH/c1-9-13(10(2)20(19-9)7-5-16)14(21)18-8-12-11(15)4-3-6-17-12;;/h3-4,6H,5,7-8,16H2,1-2H3,(H,18,21);2*1H
InChIKeyBZPYSJVSRZMYSA-UHFFFAOYSA-N
MW364.25 g/mol
LogP1.77
Rot. Bonds5

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

1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride (PubChem CID 129052683) has the molecular formula C14H20Cl2FN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride
PubChem CID129052683
Molecular FormulaC14H20Cl2FN5O
Molecular Weight364.25 g/mol
Exact Mass363.10
IUPAC Name1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride
SMILESCc1nn(CCN)c(C)c1C(=O)NCc1ncccc1F.Cl.Cl
InChIInChI=1S/C14H18FN5O.2ClH/c1-9-13(10(2)20(19-9)7-5-16)14(21)18-8-12-11(15)4-3-6-17-12;;/h3-4,6H,5,7-8,16H2,1-2H3,(H,18,21);2*1H
InChIKeyBZPYSJVSRZMYSA-UHFFFAOYSA-N
XLogP1.77
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane
CID 145298054
1-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 129066945
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 135356148
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
6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 129052585
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide
CID 98852588
2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide
CID 71967685
3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 110474855
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(2-amino-3-pyridinyl)methyl]propanamide
CID 122564036
N-(2-aminoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119382459
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride (CID 129052683) is 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride is Cc1nn(CCN)c(C)c1C(=O)NCc1ncccc1F.Cl.Cl.
What is the InChIKey of 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride?
The InChIKey is BZPYSJVSRZMYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O.2ClH/c1-9-13(10(2)20(19-9)7-5-16)14(21)18-8-12-11(15)4-3-6-17-12;;/h3-4,6H,5,7-8,16H2,1-2H3,(H,18,21);2*1H.
What are the key properties of 1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride?
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride has a molecular weight of 364.25 g/mol, XLogP of 1.77, 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;dihydrochloride is sourced from PubChem (CID 129052683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).