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

C20H31N5O2 — CID 118767391

IUPACN-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2
InChIInChI=1S/C20H31N5O2/c26-19(7-4-10-23-8-1-2-9-23)21-14-17-13-18-15-24(11-12-25(18)22-17)20(27)16-5-3-6-16/h13,16H,1-12,14-15H2,(H,21,26)
InChIKeyVXPAFEGGEPMBSO-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.52
Rot. Bonds7

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

N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 118767391) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide
PubChem CID118767391
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC NameN-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2
InChIInChI=1S/C20H31N5O2/c26-19(7-4-10-23-8-1-2-9-23)21-14-17-13-18-15-24(11-12-25(18)22-17)20(27)16-5-3-6-16/h13,16H,1-12,14-15H2,(H,21,26)
InChIKeyVXPAFEGGEPMBSO-UHFFFAOYSA-N
XLogP1.52
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-imidazol-1-ylbutanamide
CID 72888853
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 118793253
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-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 70744863
propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate
CID 118765291
1-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-(3-methoxypropyl)urea
CID 122556508
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-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 118789660
(2R)-N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1-methylpiperidine-2-carboxamide
CID 96579560
cyclobutyl-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 121498493
cyclobutyl-[2-[(oxolan-3-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 121495858

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-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide (CID 118767391) is N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide is O=C(CCCN1CCCC1)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2.
What is the InChIKey of N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is VXPAFEGGEPMBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c26-19(7-4-10-23-8-1-2-9-23)21-14-17-13-18-15-24(11-12-25(18)22-17)20(27)16-5-3-6-16/h13,16H,1-12,14-15H2,(H,21,26).
What are the key properties of N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide?
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 373.50 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 118767391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).