N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C12H15N3O2 — CID 19513917

IUPACN-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C12H15N3O2/c1-3-8(2)13-12(16)10-7-9(14-15-10)11-5-4-6-17-11/h4-8H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRSJZMGQYZPBNRA-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.20
Rot. Bonds4

About N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 19513917) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID19513917
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C12H15N3O2/c1-3-8(2)13-12(16)10-7-9(14-15-10)11-5-4-6-17-11/h4-8H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRSJZMGQYZPBNRA-UHFFFAOYSA-N
XLogP2.20
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 19513917) is N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is CCC(C)NC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is RSJZMGQYZPBNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-8(2)13-12(16)10-7-9(14-15-10)11-5-4-6-17-11/h4-8H,3H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19513917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).