2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide

C14H19F2N7O2 — CID 146127427

IUPAC2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(NC(=O)NCCc2nccn2C(F)F)cn1
InChIInChI=1S/C14H19F2N7O2/c1-21(2)12(24)9-22-8-10(7-19-22)20-14(25)18-4-3-11-17-5-6-23(11)13(15)16/h5-8,13H,3-4,9H2,1-2H3,(H2,18,20,25)
InChIKeyNUUZUXPPXMDXIA-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.93
Rot. Bonds7

About 2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 146127427) has the molecular formula C14H19F2N7O2 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID146127427
Molecular FormulaC14H19F2N7O2
Molecular Weight355.35 g/mol
Exact Mass355.16
IUPAC Name2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(NC(=O)NCCc2nccn2C(F)F)cn1
InChIInChI=1S/C14H19F2N7O2/c1-21(2)12(24)9-22-8-10(7-19-22)20-14(25)18-4-3-11-17-5-6-23(11)13(15)16/h5-8,13H,3-4,9H2,1-2H3,(H2,18,20,25)
InChIKeyNUUZUXPPXMDXIA-UHFFFAOYSA-N
XLogP0.93
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide
CID 166428060
N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
CID 56793742
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826162
2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide
CID 87013866
2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191990
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 56826814
N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146122980
4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 136522886
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide
CID 51134602
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
2-[4-(4,4,4-trifluorobutylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115521189

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide (CID 146127427) is 2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(NC(=O)NCCc2nccn2C(F)F)cn1.
What is the InChIKey of 2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is NUUZUXPPXMDXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N7O2/c1-21(2)12(24)9-22-8-10(7-19-22)20-14(25)18-4-3-11-17-5-6-23(11)13(15)16/h5-8,13H,3-4,9H2,1-2H3,(H2,18,20,25).
What are the key properties of 2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 355.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 146127427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).