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

C13H20N4O — CID 66029181

IUPAC5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCCc1ccco1
InChIInChI=1S/C13H20N4O/c1-3-8-17-13(12(14)10(2)16-17)15-7-6-11-5-4-9-18-11/h4-5,9,15H,3,6-8,14H2,1-2H3
InChIKeyDIRQOGYYAQBEQQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.43
Rot. Bonds6

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

5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 66029181) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID66029181
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCCc1ccco1
InChIInChI=1S/C13H20N4O/c1-3-8-17-13(12(14)10(2)16-17)15-7-6-11-5-4-9-18-11/h4-5,9,15H,3,6-8,14H2,1-2H3
InChIKeyDIRQOGYYAQBEQQ-UHFFFAOYSA-N
XLogP2.43
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028755
3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine
CID 106036104
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 61140986
5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 55242302
3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66029585
4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80987278
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027995
5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 106007196
1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine
CID 79762588
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol
CID 105057764
3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine
CID 66027834

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine (CID 66029181) is 5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NCCc1ccco1.
What is the InChIKey of 5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is DIRQOGYYAQBEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-8-17-13(12(14)10(2)16-17)15-7-6-11-5-4-9-18-11/h4-5,9,15H,3,6-8,14H2,1-2H3.
What are the key properties of 5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 248.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66029181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).