2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide

C14H18ClN5OS — CID 123808495

IUPAC2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide
SMILESCSCC(C)(N)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C14H18ClN5OS/c1-14(16,9-22-3)13(21)19(2)11-8-20(18-12(11)15)10-5-4-6-17-7-10/h4-8H,9,16H2,1-3H3
InChIKeyFGZXYFWPCAHRCF-UHFFFAOYSA-N
MW339.85 g/mol
LogP1.96
Rot. Bonds5

About 2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide

2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide (PubChem CID 123808495) has the molecular formula C14H18ClN5OS and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide
PubChem CID123808495
Molecular FormulaC14H18ClN5OS
Molecular Weight339.85 g/mol
Exact Mass339.09
IUPAC Name2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide
SMILESCSCC(C)(N)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C14H18ClN5OS/c1-14(16,9-22-3)13(21)19(2)11-8-20(18-12(11)15)10-5-4-6-17-7-10/h4-8H,9,16H2,1-3H3
InChIKeyFGZXYFWPCAHRCF-UHFFFAOYSA-N
XLogP1.96
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-pyridin-4-yl-3-sulfanylpropanamide
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N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-(2-methyl-3-methylsulfanylpropanoyl)-3-methylsulfanylpropanamide
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(4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide
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tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(trideuteriomethyl)carbamate
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(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-(2-hydroxy-3,3-dimethylbutyl)carbamic acid
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N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide
CID 123277810
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide?
The IUPAC name of 2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide (CID 123808495) is 2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide?
The canonical SMILES for 2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide is CSCC(C)(N)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of 2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide?
The InChIKey is FGZXYFWPCAHRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5OS/c1-14(16,9-22-3)13(21)19(2)11-8-20(18-12(11)15)10-5-4-6-17-7-10/h4-8H,9,16H2,1-3H3.
What are the key properties of 2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide?
2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide has a molecular weight of 339.85 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 123808495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).