1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide

C15H16N6O3 — CID 19412490

IUPAC1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cn3cccn3)o2)c(C(N)=O)n1
InChIInChI=1S/C15H16N6O3/c1-2-20-9-11(13(19-20)14(16)22)18-15(23)12-5-4-10(24-12)8-21-7-3-6-17-21/h3-7,9H,2,8H2,1H3,(H2,16,22)(H,18,23)
InChIKeyWLHWNPOJBHDSFT-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.09
Rot. Bonds6

About 1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide

1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide (PubChem CID 19412490) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
PubChem CID19412490
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cn3cccn3)o2)c(C(N)=O)n1
InChIInChI=1S/C15H16N6O3/c1-2-20-9-11(13(19-20)14(16)22)18-15(23)12-5-4-10(24-12)8-21-7-3-6-17-21/h3-7,9H,2,8H2,1H3,(H2,16,22)(H,18,23)
InChIKeyWLHWNPOJBHDSFT-UHFFFAOYSA-N
XLogP1.09
TPSA120.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide (CID 19412490) is 1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(Cn3cccn3)o2)c(C(N)=O)n1.
What is the InChIKey of 1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?
The InChIKey is WLHWNPOJBHDSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-2-20-9-11(13(19-20)14(16)22)18-15(23)12-5-4-10(24-12)8-21-7-3-6-17-21/h3-7,9H,2,8H2,1H3,(H2,16,22)(H,18,23).
What are the key properties of 1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?
1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19412490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).