3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide

C21H20N4O4 — CID 68904447

IUPAC3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide
SMILESCc1ccoc1C(=O)Nc1n[nH]c2cc(C(=O)NC(C)(C)c3ccccc3)oc12
InChIInChI=1S/C21H20N4O4/c1-12-9-10-28-16(12)20(27)22-18-17-14(24-25-18)11-15(29-17)19(26)23-21(2,3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,23,26)(H2,22,24,25,27)
InChIKeyFZYGOZUKZKVVOO-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.97
Rot. Bonds5

About 3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide

3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide (PubChem CID 68904447) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide
PubChem CID68904447
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide
SMILESCc1ccoc1C(=O)Nc1n[nH]c2cc(C(=O)NC(C)(C)c3ccccc3)oc12
InChIInChI=1S/C21H20N4O4/c1-12-9-10-28-16(12)20(27)22-18-17-14(24-25-18)11-15(29-17)19(26)23-21(2,3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,23,26)(H2,22,24,25,27)
InChIKeyFZYGOZUKZKVVOO-UHFFFAOYSA-N
XLogP3.97
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide?
The IUPAC name of 3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide (CID 68904447) is 3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide is Cc1ccoc1C(=O)Nc1n[nH]c2cc(C(=O)NC(C)(C)c3ccccc3)oc12.
What is the InChIKey of 3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide?
The InChIKey is FZYGOZUKZKVVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-12-9-10-28-16(12)20(27)22-18-17-14(24-25-18)11-15(29-17)19(26)23-21(2,3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,23,26)(H2,22,24,25,27).
What are the key properties of 3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide?
3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylfuran-2-carbonyl)amino]-N-(2-phenylpropan-2-yl)-1H-furo[3,2-c]pyrazole-5-carboxamide is sourced from PubChem (CID 68904447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).