1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide

C12H14ClN5O — CID 143780479

IUPAC1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide
SMILESCNc1cc(Cl)cnc1-n1cc(C(=O)N(C)C)cn1
InChIInChI=1S/C12H14ClN5O/c1-14-10-4-9(13)6-15-11(10)18-7-8(5-16-18)12(19)17(2)3/h4-7,14H,1-3H3
InChIKeyMQSIYZWQIRNPCS-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.66
Rot. Bonds3

About 1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide

1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide (PubChem CID 143780479) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide
PubChem CID143780479
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide
SMILESCNc1cc(Cl)cnc1-n1cc(C(=O)N(C)C)cn1
InChIInChI=1S/C12H14ClN5O/c1-14-10-4-9(13)6-15-11(10)18-7-8(5-16-18)12(19)17(2)3/h4-7,14H,1-3H3
InChIKeyMQSIYZWQIRNPCS-UHFFFAOYSA-N
XLogP1.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
CID 17468098
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
CID 62170738
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80868430
1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79727906
3-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea
CID 97341220
1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid
CID 103583920
5-chloro-3-N-methylpyridine-2,3-diamine
CID 119081728
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200852
1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-N-methylpyrazole-4-carboxamide
CID 110903813
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
CID 56819330
5-chloro-N-(3-methoxyphenyl)-N-methyl-3-(methylamino)pyridine-2-carboxamide
CID 143610344

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide (CID 143780479) is 1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide is CNc1cc(Cl)cnc1-n1cc(C(=O)N(C)C)cn1.
What is the InChIKey of 1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide?
The InChIKey is MQSIYZWQIRNPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-14-10-4-9(13)6-15-11(10)18-7-8(5-16-18)12(19)17(2)3/h4-7,14H,1-3H3.
What are the key properties of 1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide?
1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-(methylamino)-2-pyridinyl]-N,N-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 143780479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).