1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane

C20H28N4 — CID 70735219

IUPAC1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane
SMILESc1cc(CN2CCCN(C3CCCC3)CC2)cc(-n2cccn2)c1
InChIInChI=1S/C20H28N4/c1-2-8-19(7-1)23-12-5-11-22(14-15-23)17-18-6-3-9-20(16-18)24-13-4-10-21-24/h3-4,6,9-10,13,16,19H,1-2,5,7-8,11-12,14-15,17H2
InChIKeyZVZVJUFOFMKMGP-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.32
Rot. Bonds4

About 1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane

1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane (PubChem CID 70735219) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane
PubChem CID70735219
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane
SMILESc1cc(CN2CCCN(C3CCCC3)CC2)cc(-n2cccn2)c1
InChIInChI=1S/C20H28N4/c1-2-8-19(7-1)23-12-5-11-22(14-15-23)17-18-6-3-9-20(16-18)24-13-4-10-21-24/h3-4,6,9-10,13,16,19H,1-2,5,7-8,11-12,14-15,17H2
InChIKeyZVZVJUFOFMKMGP-UHFFFAOYSA-N
XLogP3.32
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 118765657
3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 75514760
2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70706816
2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 30852850
2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane
CID 74242185
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
CID 62488878
methyl (2S)-2-hydroxy-2-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetate
CID 97151791
1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine
CID 138056348
4-[(4-fluorophenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86967117

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane?
The IUPAC name of 1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane (CID 70735219) is 1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane.
What is the SMILES notation for 1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane?
The canonical SMILES for 1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane is c1cc(CN2CCCN(C3CCCC3)CC2)cc(-n2cccn2)c1.
What is the InChIKey of 1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane?
The InChIKey is ZVZVJUFOFMKMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-2-8-19(7-1)23-12-5-11-22(14-15-23)17-18-6-3-9-20(16-18)24-13-4-10-21-24/h3-4,6,9-10,13,16,19H,1-2,5,7-8,11-12,14-15,17H2.
What are the key properties of 1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane?
1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane has a molecular weight of 324.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane is sourced from PubChem (CID 70735219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).