1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane

C15H20N4O — CID 142601318

IUPAC1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
SMILESCOc1ccc(-c2[nH]ncc2N2CCCNCC2)cc1
InChIInChI=1S/C15H20N4O/c1-20-13-5-3-12(4-6-13)15-14(11-17-18-15)19-9-2-7-16-8-10-19/h3-6,11,16H,2,7-10H2,1H3,(H,17,18)
InChIKeyCVHZKPJZRQJCSF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.88
Rot. Bonds3

About 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane

1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane (PubChem CID 142601318) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
PubChem CID142601318
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
SMILESCOc1ccc(-c2[nH]ncc2N2CCCNCC2)cc1
InChIInChI=1S/C15H20N4O/c1-20-13-5-3-12(4-6-13)15-14(11-17-18-15)19-9-2-7-16-8-10-19/h3-6,11,16H,2,7-10H2,1H3,(H,17,18)
InChIKeyCVHZKPJZRQJCSF-UHFFFAOYSA-N
XLogP1.88
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293
(2-Aminoethyl)(methyl) ({3-[4-(propan-2-yloxy)phenyl]-1h-pyrazol-4-yl}methyl)amine
CID 86303066
1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209864
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971
N,N'-dimethyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117666015
N'-methyl-N'-[[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671035
N'-methyl-N'-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671045

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane (CID 142601318) is 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane is COc1ccc(-c2[nH]ncc2N2CCCNCC2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane?
The InChIKey is CVHZKPJZRQJCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-20-13-5-3-12(4-6-13)15-14(11-17-18-15)19-9-2-7-16-8-10-19/h3-6,11,16H,2,7-10H2,1H3,(H,17,18).
What are the key properties of 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane?
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane has a molecular weight of 272.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane is sourced from PubChem (CID 142601318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).