[1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine

C13H25N5 — CID 28965259

IUPAC[1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine
SMILESCCCN1CCN(c2c(CN)c(C)nn2C)CC1
InChIInChI=1S/C13H25N5/c1-4-5-17-6-8-18(9-7-17)13-12(10-14)11(2)15-16(13)3/h4-10,14H2,1-3H3
InChIKeyVIYOULZCGCGDPY-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.72
Rot. Bonds4

About [1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine

[1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine (PubChem CID 28965259) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is [1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine
PubChem CID28965259
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name[1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine
SMILESCCCN1CCN(c2c(CN)c(C)nn2C)CC1
InChIInChI=1S/C13H25N5/c1-4-5-17-6-8-18(9-7-17)13-12(10-14)11(2)15-16(13)3/h4-10,14H2,1-3H3
InChIKeyVIYOULZCGCGDPY-UHFFFAOYSA-N
XLogP0.72
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine?
The IUPAC name of [1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine (CID 28965259) is [1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine is CCCN1CCN(c2c(CN)c(C)nn2C)CC1.
What is the InChIKey of [1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine?
The InChIKey is VIYOULZCGCGDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-5-17-6-8-18(9-7-17)13-12(10-14)11(2)15-16(13)3/h4-10,14H2,1-3H3.
What are the key properties of [1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine?
[1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine has a molecular weight of 251.38 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(4-propylpiperazin-1-yl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 28965259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).