1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine

C13H19N3O — CID 43204472

IUPAC1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine
SMILESCc1ccc(C(C)Nc2c(C)nn(C)c2C)o1
InChIInChI=1S/C13H19N3O/c1-8-6-7-12(17-8)9(2)14-13-10(3)15-16(5)11(13)4/h6-7,9,14H,1-5H3
InChIKeyLVGDNXBHRCOMMG-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.11
Rot. Bonds3

About 1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine

1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine (PubChem CID 43204472) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine
PubChem CID43204472
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine
SMILESCc1ccc(C(C)Nc2c(C)nn(C)c2C)o1
InChIInChI=1S/C13H19N3O/c1-8-6-7-12(17-8)9(2)14-13-10(3)15-16(5)11(13)4/h6-7,9,14H,1-5H3
InChIKeyLVGDNXBHRCOMMG-UHFFFAOYSA-N
XLogP3.11
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine
CID 115922058
1,3,5-trimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43204496
N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204509
N-[1-(5-methylfuran-2-yl)ethyl]pyridin-4-amine
CID 61039528
1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
CID 115927529
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204543
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768876
3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine
CID 130573982
1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine
CID 103079768
6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 114050661
1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
CID 115927517
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659606

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine (CID 43204472) is 1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine is Cc1ccc(C(C)Nc2c(C)nn(C)c2C)o1.
What is the InChIKey of 1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine?
The InChIKey is LVGDNXBHRCOMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-6-7-12(17-8)9(2)14-13-10(3)15-16(5)11(13)4/h6-7,9,14H,1-5H3.
What are the key properties of 1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine?
1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine has a molecular weight of 233.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 43204472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).