N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide

C15H18FN3O2 — CID 99972000

IUPACN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide
SMILESCc1n[nH]c(C)c1[C@H](C)NC(=O)Cc1ccc(O)c(F)c1
InChIInChI=1S/C15H18FN3O2/c1-8(15-9(2)18-19-10(15)3)17-14(21)7-11-4-5-13(20)12(16)6-11/h4-6,8,20H,7H2,1-3H3,(H,17,21)(H,18,19)/t8-/m0/s1
InChIKeyMSNZDJCYNXMFSK-QMMMGPOBSA-N
MW291.33 g/mol
LogP2.29
Rot. Bonds4

About N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide

N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide (PubChem CID 99972000) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide
PubChem CID99972000
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide
SMILESCc1n[nH]c(C)c1[C@H](C)NC(=O)Cc1ccc(O)c(F)c1
InChIInChI=1S/C15H18FN3O2/c1-8(15-9(2)18-19-10(15)3)17-14(21)7-11-4-5-13(20)12(16)6-11/h4-6,8,20H,7H2,1-3H3,(H,17,21)(H,18,19)/t8-/m0/s1
InChIKeyMSNZDJCYNXMFSK-QMMMGPOBSA-N
XLogP2.29
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide?
The IUPAC name of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide (CID 99972000) is N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide is Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cc1ccc(O)c(F)c1.
What is the InChIKey of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide?
The InChIKey is MSNZDJCYNXMFSK-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-8(15-9(2)18-19-10(15)3)17-14(21)7-11-4-5-13(20)12(16)6-11/h4-6,8,20H,7H2,1-3H3,(H,17,21)(H,18,19)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide?
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide has a molecular weight of 291.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 99972000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).