4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide

C14H18F2N6O2 — CID 5241870

IUPAC4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C14H18F2N6O2/c1-3-6-17-13(24)11-10(8-21(4-2)20-11)18-12(23)9-5-7-22(19-9)14(15)16/h5,7-8,14H,3-4,6H2,1-2H3,(H,17,24)(H,18,23)
InChIKeyYRTCQCGDROCBOU-UHFFFAOYSA-N
MW340.33 g/mol
LogP1.89
Rot. Bonds7

About 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide

4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide (PubChem CID 5241870) has the molecular formula C14H18F2N6O2 and a molecular weight of 340.33 g/mol. Its IUPAC name is 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
PubChem CID5241870
Molecular FormulaC14H18F2N6O2
Molecular Weight340.33 g/mol
Exact Mass340.15
IUPAC Name4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C14H18F2N6O2/c1-3-6-17-13(24)11-10(8-21(4-2)20-11)18-12(23)9-5-7-22(19-9)14(15)16/h5,7-8,14H,3-4,6H2,1-2H3,(H,17,24)(H,18,23)
InChIKeyYRTCQCGDROCBOU-UHFFFAOYSA-N
XLogP1.89
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400129
1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide
CID 19400133
1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470768
4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398509
N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19264128
1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide
CID 19398463
4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398356
4-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398520
1-ethyl-N-propyl-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400096
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19448005
5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494328
2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623448

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide (CID 5241870) is 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The InChIKey is YRTCQCGDROCBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N6O2/c1-3-6-17-13(24)11-10(8-21(4-2)20-11)18-12(23)9-5-7-22(19-9)14(15)16/h5,7-8,14H,3-4,6H2,1-2H3,(H,17,24)(H,18,23).
What are the key properties of 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide?
4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 5241870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).