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

C15H13F3N6O3 — CID 19398132

IUPACN-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1C(=O)NCc1ccco1
InChIInChI=1S/C15H13F3N6O3/c1-24-12(14(26)19-6-8-3-2-4-27-8)10(7-20-24)21-13(25)9-5-11(23-22-9)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,26)(H,21,25)(H,22,23)
InChIKeyDHPLNNOGEZXRGC-UHFFFAOYSA-N
MW382.30 g/mol
LogP1.94
Rot. Bonds5

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

N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide (PubChem CID 19398132) has the molecular formula C15H13F3N6O3 and a molecular weight of 382.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide
PubChem CID19398132
Molecular FormulaC15H13F3N6O3
Molecular Weight382.30 g/mol
Exact Mass382.10
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1C(=O)NCc1ccco1
InChIInChI=1S/C15H13F3N6O3/c1-24-12(14(26)19-6-8-3-2-4-27-8)10(7-20-24)21-13(25)9-5-11(23-22-9)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,26)(H,21,25)(H,22,23)
InChIKeyDHPLNNOGEZXRGC-UHFFFAOYSA-N
XLogP1.94
TPSA117.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
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
N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 56730982
4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-3-carboxamide
CID 118729529

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide (CID 19398132) is N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide is Cn1ncc(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide?
The InChIKey is DHPLNNOGEZXRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O3/c1-24-12(14(26)19-6-8-3-2-4-27-8)10(7-20-24)21-13(25)9-5-11(23-22-9)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,26)(H,21,25)(H,22,23).
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide?
N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide is sourced from PubChem (CID 19398132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).