2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C20H25N5O2 — CID 122567874

IUPAC2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCc1ccccc1NC(=O)N1CCn2nc(CNC(=O)C3CCC3)cc2C1
InChIInChI=1S/C20H25N5O2/c1-14-5-2-3-8-18(14)22-20(27)24-9-10-25-17(13-24)11-16(23-25)12-21-19(26)15-6-4-7-15/h2-3,5,8,11,15H,4,6-7,9-10,12-13H2,1H3,(H,21,26)(H,22,27)
InChIKeyKDTPSQLUQUHHFY-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.66
Rot. Bonds4

About 2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 122567874) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID122567874
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCc1ccccc1NC(=O)N1CCn2nc(CNC(=O)C3CCC3)cc2C1
InChIInChI=1S/C20H25N5O2/c1-14-5-2-3-8-18(14)22-20(27)24-9-10-25-17(13-24)11-16(23-25)12-21-19(26)15-6-4-7-15/h2-3,5,8,11,15H,4,6-7,9-10,12-13H2,1H3,(H,21,26)(H,22,27)
InChIKeyKDTPSQLUQUHHFY-UHFFFAOYSA-N
XLogP2.66
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(2-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118787943
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide
CID 118766639
1-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-3-phenylurea
CID 70741663
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 118789660
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 70744863
N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118772302
propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate
CID 118765291
N-[[5-[(5-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70704905
2-[[2-[(cyclobutanecarbonylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]benzoic acid
CID 72894124
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 118767144
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(3-hydroxyphenyl)acetamide
CID 118788274
N-[[5-[(3-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70786952

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 122567874) is 2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is Cc1ccccc1NC(=O)N1CCn2nc(CNC(=O)C3CCC3)cc2C1.
What is the InChIKey of 2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is KDTPSQLUQUHHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-5-2-3-8-18(14)22-20(27)24-9-10-25-17(13-24)11-16(23-25)12-21-19(26)15-6-4-7-15/h2-3,5,8,11,15H,4,6-7,9-10,12-13H2,1H3,(H,21,26)(H,22,27).
What are the key properties of 2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 122567874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).