N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine

C14H23N5 — CID 122167629

IUPACN-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2cn(CCC)nc2C)cn1
InChIInChI=1S/C14H23N5/c1-4-6-18-11-14(9-16-18)15-8-13-10-19(7-5-2)17-12(13)3/h9-11,15H,4-8H2,1-3H3
InChIKeyPGUDNIQVEPUGPM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.82
Rot. Bonds7

About N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine

N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine (PubChem CID 122167629) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
PubChem CID122167629
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2cn(CCC)nc2C)cn1
InChIInChI=1S/C14H23N5/c1-4-6-18-11-14(9-16-18)15-8-13-10-19(7-5-2)17-12(13)3/h9-11,15H,4-8H2,1-3H3
InChIKeyPGUDNIQVEPUGPM-UHFFFAOYSA-N
XLogP2.82
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-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 N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine?
The IUPAC name of N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine (CID 122167629) is N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine.
What is the SMILES notation for N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine?
The canonical SMILES for N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine is CCCn1cc(NCc2cn(CCC)nc2C)cn1.
What is the InChIKey of N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine?
The InChIKey is PGUDNIQVEPUGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-6-18-11-14(9-16-18)15-8-13-10-19(7-5-2)17-12(13)3/h9-11,15H,4-8H2,1-3H3.
What are the key properties of N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine?
N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine is sourced from PubChem (CID 122167629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).