1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane

C14H26N4O — CID 64944621

IUPAC1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane
SMILESCCCC1CN(c2cnn(CCOC)c2)CCCN1
InChIInChI=1S/C14H26N4O/c1-3-5-13-11-17(7-4-6-15-13)14-10-16-18(12-14)8-9-19-2/h10,12-13,15H,3-9,11H2,1-2H3
InChIKeyJCQCQKAAAOOCLI-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.50
Rot. Bonds6

About 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane

1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane (PubChem CID 64944621) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane
PubChem CID64944621
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane
SMILESCCCC1CN(c2cnn(CCOC)c2)CCCN1
InChIInChI=1S/C14H26N4O/c1-3-5-13-11-17(7-4-6-15-13)14-10-16-18(12-14)8-9-19-2/h10,12-13,15H,3-9,11H2,1-2H3
InChIKeyJCQCQKAAAOOCLI-UHFFFAOYSA-N
XLogP1.50
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane (CID 64944621) is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane is CCCC1CN(c2cnn(CCOC)c2)CCCN1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane?
The InChIKey is JCQCQKAAAOOCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-5-13-11-17(7-4-6-15-13)14-10-16-18(12-14)8-9-19-2/h10,12-13,15H,3-9,11H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane?
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane has a molecular weight of 266.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane is sourced from PubChem (CID 64944621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).