1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane

C14H26N4 — CID 103016702

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane
SMILESCCCC1CN(CCc2cnn(C)c2)CCCN1
InChIInChI=1S/C14H26N4/c1-3-5-14-12-18(8-4-7-15-14)9-6-13-10-16-17(2)11-13/h10-11,14-15H,3-9,12H2,1-2H3
InChIKeyPOTKWTXRWMCISC-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane (PubChem CID 103016702) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane
PubChem CID103016702
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane
SMILESCCCC1CN(CCc2cnn(C)c2)CCCN1
InChIInChI=1S/C14H26N4/c1-3-5-14-12-18(8-4-7-15-14)9-6-13-10-16-17(2)11-13/h10-11,14-15H,3-9,12H2,1-2H3
InChIKeyPOTKWTXRWMCISC-UHFFFAOYSA-N
XLogP1.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dipropyl-1,4-diazepane
CID 64870092
1-[2-(2,4-dichlorophenyl)ethyl]-3-propyl-1,4-diazepane
CID 64944956
2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine
CID 103016292
1-(1-methylpyrazol-4-yl)-3-propylpiperazine
CID 64925636
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine
CID 103016180
3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64834001
[4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol
CID 82243271
3-[2-(1-methylpyrazol-4-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 103815562
1-[(4-tert-butylphenyl)methyl]-3-propyl-1,4-diazepane
CID 64872270
(3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 97004575
3-ethyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-1,4-diazepane
CID 114279126
5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 106781800

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane (CID 103016702) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane is CCCC1CN(CCc2cnn(C)c2)CCCN1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane?
The InChIKey is POTKWTXRWMCISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-5-14-12-18(8-4-7-15-14)9-6-13-10-16-17(2)11-13/h10-11,14-15H,3-9,12H2,1-2H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane?
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane has a molecular weight of 250.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane is sourced from PubChem (CID 103016702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).