5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine

C14H22N4O — CID 66027619

IUPAC5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)Cc1ccc(C)o1
InChIInChI=1S/C14H22N4O/c1-5-8-18-14(13(15)11(3)16-18)17(4)9-12-7-6-10(2)19-12/h6-7H,5,8-9,15H2,1-4H3
InChIKeyYDIRHBCUPSGUAN-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.72
Rot. Bonds5

About 5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine

5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine (PubChem CID 66027619) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine
PubChem CID66027619
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)Cc1ccc(C)o1
InChIInChI=1S/C14H22N4O/c1-5-8-18-14(13(15)11(3)16-18)17(4)9-12-7-6-10(2)19-12/h6-7H,5,8-9,15H2,1-4H3
InChIKeyYDIRHBCUPSGUAN-UHFFFAOYSA-N
XLogP2.72
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine 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 5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine (CID 66027619) is 5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(C)Cc1ccc(C)o1.
What is the InChIKey of 5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine?
The InChIKey is YDIRHBCUPSGUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-8-18-14(13(15)11(3)16-18)17(4)9-12-7-6-10(2)19-12/h6-7H,5,8-9,15H2,1-4H3.
What are the key properties of 5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine?
5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine has a molecular weight of 262.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66027619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).