N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide

C18H24FN5O2 — CID 118780681

IUPACN-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(F)c(NC(=O)NC(C)Cn2nc(C)cc2C)c1
InChIInChI=1S/C18H24FN5O2/c1-5-17(25)21-14-6-7-15(19)16(9-14)22-18(26)20-12(3)10-24-13(4)8-11(2)23-24/h6-9,12H,5,10H2,1-4H3,(H,21,25)(H2,20,22,26)
InChIKeyRQIVHTDAOJGPNI-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.20
Rot. Bonds6

About N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide

N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide (PubChem CID 118780681) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide
PubChem CID118780681
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC NameN-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(F)c(NC(=O)NC(C)Cn2nc(C)cc2C)c1
InChIInChI=1S/C18H24FN5O2/c1-5-17(25)21-14-6-7-15(19)16(9-14)22-18(26)20-12(3)10-24-13(4)8-11(2)23-24/h6-9,12H,5,10H2,1-4H3,(H,21,25)(H2,20,22,26)
InChIKeyRQIVHTDAOJGPNI-UHFFFAOYSA-N
XLogP3.20
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 97443871
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea
CID 97269043
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 97443408
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-fluorobenzoic acid
CID 103791396
N-(3,4-difluorophenyl)propanamide
CID 4285365
cis-(1R,2S)-2-(2,4-difluorophenyl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]cyclopropane-1-carboxamide
CID 95625422
N-(3-chloro-4-fluorophenyl)-3-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]propanamide
CID 25477537
3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide
CID 118769740
methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
CID 56789428
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide?
The IUPAC name of N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide (CID 118780681) is N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide.
What is the SMILES notation for N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide?
The canonical SMILES for N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide is CCC(=O)Nc1ccc(F)c(NC(=O)NC(C)Cn2nc(C)cc2C)c1.
What is the InChIKey of N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide?
The InChIKey is RQIVHTDAOJGPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-5-17(25)21-14-6-7-15(19)16(9-14)22-18(26)20-12(3)10-24-13(4)8-11(2)23-24/h6-9,12H,5,10H2,1-4H3,(H,21,25)(H2,20,22,26).
What are the key properties of N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide?
N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide has a molecular weight of 361.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide is sourced from PubChem (CID 118780681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).