N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide

C13H17N3O2 — CID 110467125

IUPACN-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC(C)(C)c1ccco1
InChIInChI=1S/C13H17N3O2/c1-13(2,11-5-4-8-18-11)9-14-12(17)10-6-7-15-16(10)3/h4-8H,9H2,1-3H3,(H,14,17)
InChIKeyMSHSLPRYBFEEHV-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.72
Rot. Bonds4

About N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide

N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide (PubChem CID 110467125) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide
PubChem CID110467125
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC(C)(C)c1ccco1
InChIInChI=1S/C13H17N3O2/c1-13(2,11-5-4-8-18-11)9-14-12(17)10-6-7-15-16(10)3/h4-8H,9H2,1-3H3,(H,14,17)
InChIKeyMSHSLPRYBFEEHV-UHFFFAOYSA-N
XLogP1.72
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide (CID 110467125) is N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCC(C)(C)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is MSHSLPRYBFEEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,11-5-4-8-18-11)9-14-12(17)10-6-7-15-16(10)3/h4-8H,9H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide?
N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110467125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).