5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C12H14ClN5O — CID 154783599

IUPAC5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1NCc1ccc(Cl)cn1
InChIInChI=1S/C12H14ClN5O/c1-18(2)12(19)10-7-16-17-11(10)15-6-9-4-3-8(13)5-14-9/h3-5,7H,6H2,1-2H3,(H2,15,16,17)
InChIKeyJMDAGGGPNIDLBR-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.77
Rot. Bonds4

About 5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 154783599) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID154783599
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1NCc1ccc(Cl)cn1
InChIInChI=1S/C12H14ClN5O/c1-18(2)12(19)10-7-16-17-11(10)15-6-9-4-3-8(13)5-14-9/h3-5,7H,6H2,1-2H3,(H2,15,16,17)
InChIKeyJMDAGGGPNIDLBR-UHFFFAOYSA-N
XLogP1.77
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 154783599) is 5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1NCc1ccc(Cl)cn1.
What is the InChIKey of 5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is JMDAGGGPNIDLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-18(2)12(19)10-7-16-17-11(10)15-6-9-4-3-8(13)5-14-9/h3-5,7H,6H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-pyridinyl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154783599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).