N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide

C14H18N6O3S — CID 133141737

IUPACN-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide
SMILESCS(=O)(=O)N1Cc2ccnn2CC(CNC(=O)c2cnccn2)C1
InChIInChI=1S/C14H18N6O3S/c1-24(22,23)19-8-11(9-20-12(10-19)2-3-18-20)6-17-14(21)13-7-15-4-5-16-13/h2-5,7,11H,6,8-10H2,1H3,(H,17,21)
InChIKeyPXUZTBOSSJJBSA-UHFFFAOYSA-N
MW350.40 g/mol
LogP-0.51
Rot. Bonds4

About N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide

N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide (PubChem CID 133141737) has the molecular formula C14H18N6O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide
PubChem CID133141737
Molecular FormulaC14H18N6O3S
Molecular Weight350.40 g/mol
Exact Mass350.12
IUPAC NameN-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide
SMILESCS(=O)(=O)N1Cc2ccnn2CC(CNC(=O)c2cnccn2)C1
InChIInChI=1S/C14H18N6O3S/c1-24(22,23)19-8-11(9-20-12(10-19)2-3-18-20)6-17-14(21)13-7-15-4-5-16-13/h2-5,7,11H,6,8-10H2,1H3,(H,17,21)
InChIKeyPXUZTBOSSJJBSA-UHFFFAOYSA-N
XLogP-0.51
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155832450
7-(ethoxymethyl)-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131654910
N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038
N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 95228903
N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131645192
N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide
CID 97474788
6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 134076092
N-[(5-propylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrimidin-2-amine
CID 133141858
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]pyrazine-2-carboxamide
CID 124759114
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide
CID 121229452

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide (CID 133141737) is N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide is CS(=O)(=O)N1Cc2ccnn2CC(CNC(=O)c2cnccn2)C1.
What is the InChIKey of N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is PXUZTBOSSJJBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3S/c1-24(22,23)19-8-11(9-20-12(10-19)2-3-18-20)6-17-14(21)13-7-15-4-5-16-13/h2-5,7,11H,6,8-10H2,1H3,(H,17,21).
What are the key properties of N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide?
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 133141737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).