N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

C20H22FN5O — CID 118775927

IUPACN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)C1(Cn2ccnc2)CC1
InChIInChI=1S/C20H22FN5O/c1-14-18(15(2)26(24-14)17-5-3-16(21)4-6-17)11-23-19(27)20(7-8-20)12-25-10-9-22-13-25/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,23,27)
InChIKeyGDICXRGWTKXRBX-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.92
Rot. Bonds6

About N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 118775927) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
PubChem CID118775927
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)C1(Cn2ccnc2)CC1
InChIInChI=1S/C20H22FN5O/c1-14-18(15(2)26(24-14)17-5-3-16(21)4-6-17)11-23-19(27)20(7-8-20)12-25-10-9-22-13-25/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,23,27)
InChIKeyGDICXRGWTKXRBX-UHFFFAOYSA-N
XLogP2.92
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
CID 46972814
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618533
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699804
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907001
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 131944912
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 110008464
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide
CID 51593677
(2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 51598009
(1S,2R,4R)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 135118516
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
1-(4-fluorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 110437942
2-(ethylamino)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidine-5-carboxamide
CID 72856313

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (CID 118775927) is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)C1(Cn2ccnc2)CC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is GDICXRGWTKXRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14-18(15(2)26(24-14)17-5-3-16(21)4-6-17)11-23-19(27)20(7-8-20)12-25-10-9-22-13-25/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,23,27).
What are the key properties of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 118775927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).