1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea

C20H29N5O — CID 70732210

IUPAC1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea
SMILESCCCN1CCCn2nc(CNC(=O)NCCc3ccccc3)cc2C1
InChIInChI=1S/C20H29N5O/c1-2-11-24-12-6-13-25-19(16-24)14-18(23-25)15-22-20(26)21-10-9-17-7-4-3-5-8-17/h3-5,7-8,14H,2,6,9-13,15-16H2,1H3,(H2,21,22,26)
InChIKeyIOGUUDKABBHICQ-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.54
Rot. Bonds7

About 1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea

1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea (PubChem CID 70732210) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea
PubChem CID70732210
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea
SMILESCCCN1CCCn2nc(CNC(=O)NCCc3ccccc3)cc2C1
InChIInChI=1S/C20H29N5O/c1-2-11-24-12-6-13-25-19(16-24)14-18(23-25)15-22-20(26)21-10-9-17-7-4-3-5-8-17/h3-5,7-8,14H,2,6,9-13,15-16H2,1H3,(H2,21,22,26)
InChIKeyIOGUUDKABBHICQ-UHFFFAOYSA-N
XLogP2.54
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121499645
1-(4-fluorophenyl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropane-1-carboxamide
CID 70767161
1-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-3-[(1R)-1-phenylethyl]urea
CID 70758010
(2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide
CID 96581300
2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 70766629
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
CID 70741291
N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 70714209
2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-(2-phenylethyl)acetamide
CID 74246092
3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea
CID 118778801
(3R)-3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide
CID 96581008
1,1-dimethyl-3-[[5-[(5-propylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]urea
CID 70720932
1-(2,3-dimethylphenyl)-3-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]urea
CID 70785805

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea?
The IUPAC name of 1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea (CID 70732210) is 1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea?
The canonical SMILES for 1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea is CCCN1CCCn2nc(CNC(=O)NCCc3ccccc3)cc2C1.
What is the InChIKey of 1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea?
The InChIKey is IOGUUDKABBHICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-2-11-24-12-6-13-25-19(16-24)14-18(23-25)15-22-20(26)21-10-9-17-7-4-3-5-8-17/h3-5,7-8,14H,2,6,9-13,15-16H2,1H3,(H2,21,22,26).
What are the key properties of 1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea?
1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea has a molecular weight of 355.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea is sourced from PubChem (CID 70732210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).