1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine

C12H17N3O — CID 115922058

IUPAC1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine
SMILESCc1ccc(C(C)Nc2cc(C)n(C)n2)o1
InChIInChI=1S/C12H17N3O/c1-8-7-12(14-15(8)4)13-10(3)11-6-5-9(2)16-11/h5-7,10H,1-4H3,(H,13,14)
InChIKeyWQWZKQATTGJLDS-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.80
Rot. Bonds3

About 1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine

1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine (PubChem CID 115922058) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine
PubChem CID115922058
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine
SMILESCc1ccc(C(C)Nc2cc(C)n(C)n2)o1
InChIInChI=1S/C12H17N3O/c1-8-7-12(14-15(8)4)13-10(3)11-6-5-9(2)16-11/h5-7,10H,1-4H3,(H,13,14)
InChIKeyWQWZKQATTGJLDS-UHFFFAOYSA-N
XLogP2.80
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine
CID 43204472
1,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrazol-3-amine
CID 115922060
2-[(1,5-dimethylpyrazol-3-yl)amino]propan-1-ol
CID 130502735
1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115897285
N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-3-amine
CID 115922045
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 112724390
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80800955
N-[1-(5-methylfuran-2-yl)ethyl]pyridin-4-amine
CID 61039528
5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine
CID 83268567
N-heptan-4-yl-1,5-dimethylpyrazol-3-amine
CID 115922057
N-(1-cyclobutylethyl)-1,5-dimethylpyrazol-3-amine
CID 130607965
6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79828244

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine (CID 115922058) is 1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine is Cc1ccc(C(C)Nc2cc(C)n(C)n2)o1.
What is the InChIKey of 1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine?
The InChIKey is WQWZKQATTGJLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-7-12(14-15(8)4)13-10(3)11-6-5-9(2)16-11/h5-7,10H,1-4H3,(H,13,14).
What are the key properties of 1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine?
1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine has a molecular weight of 219.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 115922058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).