1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine

C13H25N5 — CID 66018437

IUPAC1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCCN(C)CC2)c1N
InChIInChI=1S/C13H25N5/c1-4-6-11-12(14)13(17(3)15-11)18-8-5-7-16(2)9-10-18/h4-10,14H2,1-3H3
InChIKeyRNLVRGIINMELSP-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.10
Rot. Bonds3

About 1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine

1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine (PubChem CID 66018437) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine
PubChem CID66018437
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCCN(C)CC2)c1N
InChIInChI=1S/C13H25N5/c1-4-6-11-12(14)13(17(3)15-11)18-8-5-7-16(2)9-10-18/h4-10,14H2,1-3H3
InChIKeyRNLVRGIINMELSP-UHFFFAOYSA-N
XLogP1.10
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine?
The IUPAC name of 1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine (CID 66018437) is 1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine is CCCc1nn(C)c(N2CCCN(C)CC2)c1N.
What is the InChIKey of 1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine?
The InChIKey is RNLVRGIINMELSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-6-11-12(14)13(17(3)15-11)18-8-5-7-16(2)9-10-18/h4-10,14H2,1-3H3.
What are the key properties of 1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine?
1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine has a molecular weight of 251.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine is sourced from PubChem (CID 66018437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).