2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C16H24N6O2 — CID 138025073

IUPAC2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCOc1nn(C)cc1NC(=O)N1CCn2nc(C(C)(C)C)cc2C1
InChIInChI=1S/C16H24N6O2/c1-16(2,3)13-8-11-9-21(6-7-22(11)18-13)15(23)17-12-10-20(4)19-14(12)24-5/h8,10H,6-7,9H2,1-5H3,(H,17,23)
InChIKeyTZIVZANBTOGVBC-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.97
Rot. Bonds2

About 2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 138025073) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID138025073
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCOc1nn(C)cc1NC(=O)N1CCn2nc(C(C)(C)C)cc2C1
InChIInChI=1S/C16H24N6O2/c1-16(2,3)13-8-11-9-21(6-7-22(11)18-13)15(23)17-12-10-20(4)19-14(12)24-5/h8,10H,6-7,9H2,1-5H3,(H,17,23)
InChIKeyTZIVZANBTOGVBC-UHFFFAOYSA-N
XLogP1.97
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(hydroxymethyl)-N-(3-methoxy-1-methylpyrazol-4-yl)-3-phenylpyrrolidine-1-carboxamide
CID 154745719
(2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide
CID 129452314
2-(benzotriazol-1-yl)-1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 166256822
2-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 122646722
2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 142538383
1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea
CID 138025091
4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663039
1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
CID 138025070
tert-butyl 2-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121229919
1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea
CID 154770335
methyl 3-[(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl)amino]thiophene-2-carboxylate
CID 53165231
N-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 103908575

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 138025073) is 2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is COc1nn(C)cc1NC(=O)N1CCn2nc(C(C)(C)C)cc2C1.
What is the InChIKey of 2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is TZIVZANBTOGVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-16(2,3)13-8-11-9-21(6-7-22(11)18-13)15(23)17-12-10-20(4)19-14(12)24-5/h8,10H,6-7,9H2,1-5H3,(H,17,23).
What are the key properties of 2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 138025073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).