N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide

C16H18N6O — CID 90394502

IUPACN-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide
SMILESCC1=NCC(C)=C1C(=O)Nc1cnc(-c2cc(C)nn2C)cn1
InChIInChI=1S/C16H18N6O/c1-9-6-17-11(3)15(9)16(23)20-14-8-18-12(7-19-14)13-5-10(2)21-22(13)4/h5,7-8H,6H2,1-4H3,(H,19,20,23)
InChIKeyXPOBQKVUOHENJI-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.92
Rot. Bonds3

About N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide

N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide (PubChem CID 90394502) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide
PubChem CID90394502
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide
SMILESCC1=NCC(C)=C1C(=O)Nc1cnc(-c2cc(C)nn2C)cn1
InChIInChI=1S/C16H18N6O/c1-9-6-17-11(3)15(9)16(23)20-14-8-18-12(7-19-14)13-5-10(2)21-22(13)4/h5,7-8H,6H2,1-4H3,(H,19,20,23)
InChIKeyXPOBQKVUOHENJI-UHFFFAOYSA-N
XLogP1.92
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 58970574
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
CID 171682426
2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
CID 67997917
5-chloro-2-(2,5-dimethylpyrazol-3-yl)pyridine
CID 167062904
6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid
CID 121206397
1-(3,5-dimethyl-2H-pyrrol-4-yl)ethanone
CID 97298650
4-(2,5-dimethylpyrazol-3-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 144983968
N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374315
2-(2,5-dimethylpyrazol-3-yl)-4-methylpyridine
CID 139386235
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 4768902
4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137025541
2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide
CID 25177442

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide?
The IUPAC name of N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide (CID 90394502) is N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide.
What is the SMILES notation for N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide?
The canonical SMILES for N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide is CC1=NCC(C)=C1C(=O)Nc1cnc(-c2cc(C)nn2C)cn1.
What is the InChIKey of N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide?
The InChIKey is XPOBQKVUOHENJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-9-6-17-11(3)15(9)16(23)20-14-8-18-12(7-19-14)13-5-10(2)21-22(13)4/h5,7-8H,6H2,1-4H3,(H,19,20,23).
What are the key properties of N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide?
N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide is sourced from PubChem (CID 90394502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).