N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide

C19H32N4O — CID 97127113

IUPACN-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
SMILESCCC[C@H](C)CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1
InChIInChI=1S/C19H32N4O/c1-3-6-15(2)13-22-9-5-10-23-18(14-22)11-17(21-23)12-20-19(24)16-7-4-8-16/h11,15-16H,3-10,12-14H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyBZMKYLJTSUZYRT-HNNXBMFYSA-N
MW332.49 g/mol
LogP2.94
Rot. Bonds7

About N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide

N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 97127113) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID97127113
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
SMILESCCC[C@H](C)CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1
InChIInChI=1S/C19H32N4O/c1-3-6-15(2)13-22-9-5-10-23-18(14-22)11-17(21-23)12-20-19(24)16-7-4-8-16/h11,15-16H,3-10,12-14H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyBZMKYLJTSUZYRT-HNNXBMFYSA-N
XLogP2.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide (CID 97127113) is N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide is CCC[C@H](C)CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1.
What is the InChIKey of N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is BZMKYLJTSUZYRT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-3-6-15(2)13-22-9-5-10-23-18(14-22)11-17(21-23)12-20-19(24)16-7-4-8-16/h11,15-16H,3-10,12-14H2,1-2H3,(H,20,24)/t15-/m0/s1.
What are the key properties of N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 332.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 97127113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).