N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide

C12H15N3O2 — CID 19555813

IUPACN-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCc2ccco2)n1
InChIInChI=1S/C12H15N3O2/c1-10-4-6-15(14-10)7-5-12(16)13-9-11-3-2-8-17-11/h2-4,6,8H,5,7,9H2,1H3,(H,13,16)
InChIKeyVCXPBPZRKAAOCV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.49
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide

N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19555813) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID19555813
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCc2ccco2)n1
InChIInChI=1S/C12H15N3O2/c1-10-4-6-15(14-10)7-5-12(16)13-9-11-3-2-8-17-11/h2-4,6,8H,5,7,9H2,1H3,(H,13,16)
InChIKeyVCXPBPZRKAAOCV-UHFFFAOYSA-N
XLogP1.49
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide (CID 19555813) is N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is VCXPBPZRKAAOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-10-4-6-15(14-10)7-5-12(16)13-9-11-3-2-8-17-11/h2-4,6,8H,5,7,9H2,1H3,(H,13,16).
What are the key properties of N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide?
N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 233.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19555813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).