N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine

C12H17N3O — CID 115749351

IUPACN-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1ccoc1CNc1cnn(C(C)C)c1
InChIInChI=1S/C12H17N3O/c1-9(2)15-8-11(6-14-15)13-7-12-10(3)4-5-16-12/h4-6,8-9,13H,7H2,1-3H3
InChIKeyFAHAMYSGCCVTHM-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.98
Rot. Bonds4

About N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine

N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 115749351) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID115749351
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1ccoc1CNc1cnn(C(C)C)c1
InChIInChI=1S/C12H17N3O/c1-9(2)15-8-11(6-14-15)13-7-12-10(3)4-5-16-12/h4-6,8-9,13H,7H2,1-3H3
InChIKeyFAHAMYSGCCVTHM-UHFFFAOYSA-N
XLogP2.98
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine (CID 115749351) is N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine is Cc1ccoc1CNc1cnn(C(C)C)c1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is FAHAMYSGCCVTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(2)15-8-11(6-14-15)13-7-12-10(3)4-5-16-12/h4-6,8-9,13H,7H2,1-3H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 219.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 115749351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).