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

C16H15F3N6O3 — CID 19508299

IUPAC1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C(F)(F)F)[nH]n2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C16H15F3N6O3/c1-2-25-8-11(13(24-25)15(27)20-7-9-4-3-5-28-9)21-14(26)10-6-12(23-22-10)16(17,18)19/h3-6,8H,2,7H2,1H3,(H,20,27)(H,21,26)(H,22,23)
InChIKeyGYARCHMAVFJCFL-UHFFFAOYSA-N
MW396.33 g/mol
LogP2.42
Rot. Bonds6

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

1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide (PubChem CID 19508299) has the molecular formula C16H15F3N6O3 and a molecular weight of 396.33 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
PubChem CID19508299
Molecular FormulaC16H15F3N6O3
Molecular Weight396.33 g/mol
Exact Mass396.12
IUPAC Name1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C(F)(F)F)[nH]n2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C16H15F3N6O3/c1-2-25-8-11(13(24-25)15(27)20-7-9-4-3-5-28-9)21-14(26)10-6-12(23-22-10)16(17,18)19/h3-6,8H,2,7H2,1H3,(H,20,27)(H,21,26)(H,22,23)
InChIKeyGYARCHMAVFJCFL-UHFFFAOYSA-N
XLogP2.42
TPSA117.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 712057
N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
CID 25163116
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
4-[[5-[(3,5-Dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 4770495
4-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)amino]-1-ethyl-1H-pyrazole-3-carboxamide
CID 4771004
4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4771616
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(2-furylmethyl)acetamide
CID 844768
4-[[5-[(3,5-Dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-5-carboxamide
CID 4770795
N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279647
1-Ethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19412490
1H-Pyrazole-3-carboxamide, 4-[[[5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furanyl]carbonyl]amino]-1-ethyl-N-methyl-
CID 19467838
N-[(Furan-2-YL)methyl]-3-(3-methyl-1H-pyrazol-1-YL)propanamide
CID 19555813

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide (CID 19508299) is 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)c2cc(C(F)(F)F)[nH]n2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?
The InChIKey is GYARCHMAVFJCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O3/c1-2-25-8-11(13(24-25)15(27)20-7-9-4-3-5-28-9)21-14(26)10-6-12(23-22-10)16(17,18)19/h3-6,8H,2,7H2,1H3,(H,20,27)(H,21,26)(H,22,23).
What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?
1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide has a molecular weight of 396.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19508299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).