N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide

C20H23FN4O2 — CID 118766639

IUPACN-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)ccc1F
InChIInChI=1S/C20H23FN4O2/c1-13-9-15(5-6-18(13)21)19(26)22-11-16-10-17-12-24(7-8-25(17)23-16)20(27)14-3-2-4-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,22,26)
InChIKeyDTPCRCFMBSDDAU-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.40
Rot. Bonds4

About N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide

N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide (PubChem CID 118766639) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide
PubChem CID118766639
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)ccc1F
InChIInChI=1S/C20H23FN4O2/c1-13-9-15(5-6-18(13)21)19(26)22-11-16-10-17-12-24(7-8-25(17)23-16)20(27)14-3-2-4-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,22,26)
InChIKeyDTPCRCFMBSDDAU-UHFFFAOYSA-N
XLogP2.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 70734598
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 118789660
propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate
CID 118765291
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 86283629
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(3-hydroxyphenyl)acetamide
CID 118788274
1-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-(3-methoxypropyl)urea
CID 122556508
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 70744863
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-propyl-1,2-oxazole-4-carboxamide
CID 118767215
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 118792658
N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118772302
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 70720408
(2R)-N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1-methylpiperidine-2-carboxamide
CID 96579560

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide (CID 118766639) is N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)ccc1F.
What is the InChIKey of N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide?
The InChIKey is DTPCRCFMBSDDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-13-9-15(5-6-18(13)21)19(26)22-11-16-10-17-12-24(7-8-25(17)23-16)20(27)14-3-2-4-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,22,26).
What are the key properties of N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide?
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide has a molecular weight of 370.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 118766639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).