5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine

C12H17N3O — CID 114821088

IUPAC5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2CC(C)C)co1
InChIInChI=1S/C12H17N3O/c1-7(2)4-10-11(14-15-12(10)13)9-5-8(3)16-6-9/h5-7H,4H2,1-3H3,(H3,13,14,15)
InChIKeyJRRANYBQWSBVGK-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.76
Rot. Bonds3

About 5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine

5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 114821088) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID114821088
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2CC(C)C)co1
InChIInChI=1S/C12H17N3O/c1-7(2)4-10-11(14-15-12(10)13)9-5-8(3)16-6-9/h5-7H,4H2,1-3H3,(H3,13,14,15)
InChIKeyJRRANYBQWSBVGK-UHFFFAOYSA-N
XLogP2.76
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 63210575
5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 80536627
5-(5-methylfuran-3-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114821095
5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 114821119
5-(1H-imidazol-5-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 165499967
4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821013
4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821031
4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821028
5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 114823937
5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 81266292
4-(2-methylpropyl)-5-quinolin-8-yl-1H-pyrazol-3-amine
CID 62876222
5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 82089342

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine (CID 114821088) is 5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2CC(C)C)co1.
What is the InChIKey of 5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is JRRANYBQWSBVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7(2)4-10-11(14-15-12(10)13)9-5-8(3)16-6-9/h5-7H,4H2,1-3H3,(H3,13,14,15).
What are the key properties of 5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 219.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 114821088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).