1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane

C14H26N4 — CID 114253954

IUPAC1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane
SMILESCc1cc(N2CCCNC(CC(C)C)C2)nn1C
InChIInChI=1S/C14H26N4/c1-11(2)8-13-10-18(7-5-6-15-13)14-9-12(3)17(4)16-14/h9,11,13,15H,5-8,10H2,1-4H3
InChIKeySFHUDKLEBJKPHL-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.94
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane

1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane (PubChem CID 114253954) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane
PubChem CID114253954
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane
SMILESCc1cc(N2CCCNC(CC(C)C)C2)nn1C
InChIInChI=1S/C14H26N4/c1-11(2)8-13-10-18(7-5-6-15-13)14-9-12(3)17(4)16-14/h9,11,13,15H,5-8,10H2,1-4H3
InChIKeySFHUDKLEBJKPHL-UHFFFAOYSA-N
XLogP1.94
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64944342
3-(2-methylpropyl)-1-phenyl-1,4-diazepane
CID 64943310
1-(2-methylphenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64944305
1-(2-fluoro-4-methylphenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64943133
1-(4-tert-butylphenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64941886
3-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)-1,4-diazepane
CID 64948986
N,N-dimethyl-4-[3-(2-methylpropyl)-1,4-diazepan-1-yl]aniline
CID 64944334
1-(2-bromo-5-fluorophenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 107640081
3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)piperazine
CID 79043174
3-(2-methylpropyl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,4-diazepane
CID 82794456
1-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64945227
1-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64942750

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane (CID 114253954) is 1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane is Cc1cc(N2CCCNC(CC(C)C)C2)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane?
The InChIKey is SFHUDKLEBJKPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)8-13-10-18(7-5-6-15-13)14-9-12(3)17(4)16-14/h9,11,13,15H,5-8,10H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane?
1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane has a molecular weight of 250.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)-1,4-diazepane is sourced from PubChem (CID 114253954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).