N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide

C18H19F2N5O — CID 97130620

IUPACN-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2F)c1C
InChIInChI=1S/C18H19F2N5O/c1-11-6-7-21-24(11)10-18(26)23-12(2)15-9-22-25(13(15)3)17-5-4-14(19)8-16(17)20/h4-9,12H,10H2,1-3H3,(H,23,26)/t12-/m0/s1
InChIKeyKPWODZPNEIRVGE-LBPRGKRZSA-N
MW359.38 g/mol
LogP2.84
Rot. Bonds5

About N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide

N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 97130620) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID97130620
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC NameN-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2F)c1C
InChIInChI=1S/C18H19F2N5O/c1-11-6-7-21-24(11)10-18(26)23-12(2)15-9-22-25(13(15)3)17-5-4-14(19)8-16(17)20/h4-9,12H,10H2,1-3H3,(H,23,26)/t12-/m0/s1
InChIKeyKPWODZPNEIRVGE-LBPRGKRZSA-N
XLogP2.84
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
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N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide
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(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 42211395
1-[3-[[[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]phenyl]ethanone
CID 25365387
2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 42525671
4-[[[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-2,6-dimethylphenol
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(1R)-N-[(4-chloro-3-fluorophenyl)methyl]-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 25480018
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine
CID 45167612
N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine
CID 25450844
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclohexanamine
CID 45208565
1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 45238024
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide (CID 97130620) is N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide is Cc1ccnn1CC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2F)c1C.
What is the InChIKey of N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is KPWODZPNEIRVGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-11-6-7-21-24(11)10-18(26)23-12(2)15-9-22-25(13(15)3)17-5-4-14(19)8-16(17)20/h4-9,12H,10H2,1-3H3,(H,23,26)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide?
N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 359.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 97130620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).