5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine

C14H27N5 — CID 66029209

IUPAC5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)CCN1CCCC1
InChIInChI=1S/C14H27N5/c1-4-7-19-14(13(15)12(2)16-19)17(3)10-11-18-8-5-6-9-18/h4-11,15H2,1-3H3
InChIKeyGAQBAAKEAPIQNF-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.72
Rot. Bonds6

About 5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine

5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine (PubChem CID 66029209) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine
PubChem CID66029209
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)CCN1CCCC1
InChIInChI=1S/C14H27N5/c1-4-7-19-14(13(15)12(2)16-19)17(3)10-11-18-8-5-6-9-18/h4-11,15H2,1-3H3
InChIKeyGAQBAAKEAPIQNF-UHFFFAOYSA-N
XLogP1.72
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine (CID 66029209) is 5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(C)CCN1CCCC1.
What is the InChIKey of 5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine?
The InChIKey is GAQBAAKEAPIQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-4-7-19-14(13(15)12(2)16-19)17(3)10-11-18-8-5-6-9-18/h4-11,15H2,1-3H3.
What are the key properties of 5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine?
5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66029209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).