N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide

C17H21F2N7O — CID 155441424

IUPACN-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
SMILESCCN(CCCc1cc(C(F)F)nc2ncnn12)C(=O)c1cn(C)nc1C
InChIInChI=1S/C17H21F2N7O/c1-4-25(16(27)13-9-24(3)23-11(13)2)7-5-6-12-8-14(15(18)19)22-17-20-10-21-26(12)17/h8-10,15H,4-7H2,1-3H3
InChIKeyJLUGCONMOWQLLY-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.20
Rot. Bonds7

About N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide

N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 155441424) has the molecular formula C17H21F2N7O and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
PubChem CID155441424
Molecular FormulaC17H21F2N7O
Molecular Weight377.40 g/mol
Exact Mass377.18
IUPAC NameN-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
SMILESCCN(CCCc1cc(C(F)F)nc2ncnn12)C(=O)c1cn(C)nc1C
InChIInChI=1S/C17H21F2N7O/c1-4-25(16(27)13-9-24(3)23-11(13)2)7-5-6-12-8-14(15(18)19)22-17-20-10-21-26(12)17/h8-10,15H,4-7H2,1-3H3
InChIKeyJLUGCONMOWQLLY-UHFFFAOYSA-N
XLogP2.20
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide (CID 155441424) is N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide is CCN(CCCc1cc(C(F)F)nc2ncnn12)C(=O)c1cn(C)nc1C.
What is the InChIKey of N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is JLUGCONMOWQLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N7O/c1-4-25(16(27)13-9-24(3)23-11(13)2)7-5-6-12-8-14(15(18)19)22-17-20-10-21-26(12)17/h8-10,15H,4-7H2,1-3H3.
What are the key properties of N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide?
N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propyl]-N-ethyl-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 155441424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).