3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide

C19H24FN3O3 — CID 91786082

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide
SMILESCc1[nH]nc(CCC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c1C
InChIInChI=1S/C19H24FN3O3/c1-12-13(2)22-23-16(12)6-7-19(24)21-17-11-25-9-8-18(17)26-15-5-3-4-14(20)10-15/h3-5,10,17-18H,6-9,11H2,1-2H3,(H,21,24)(H,22,23)/t17-,18+/m1/s1
InChIKeySLSMRTRJYTXCCQ-MSOLQXFVSA-N
MW361.42 g/mol
LogP2.45
Rot. Bonds6

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide

3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide (PubChem CID 91786082) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide
PubChem CID91786082
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide
SMILESCc1[nH]nc(CCC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c1C
InChIInChI=1S/C19H24FN3O3/c1-12-13(2)22-23-16(12)6-7-19(24)21-17-11-25-9-8-18(17)26-15-5-3-4-14(20)10-15/h3-5,10,17-18H,6-9,11H2,1-2H3,(H,21,24)(H,22,23)/t17-,18+/m1/s1
InChIKeySLSMRTRJYTXCCQ-MSOLQXFVSA-N
XLogP2.45
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153
2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
CID 91796753
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91790883
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 136607705
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide
CID 91779628
2-ethyl-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]butanamide
CID 91792235
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 90653248
1-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-propylurea
CID 91774796
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91769787
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91794535
2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91782920

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide (CID 91786082) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide is Cc1[nH]nc(CCC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide?
The InChIKey is SLSMRTRJYTXCCQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-12-13(2)22-23-16(12)6-7-19(24)21-17-11-25-9-8-18(17)26-15-5-3-4-14(20)10-15/h3-5,10,17-18H,6-9,11H2,1-2H3,(H,21,24)(H,22,23)/t17-,18+/m1/s1.
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide has a molecular weight of 361.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide is sourced from PubChem (CID 91786082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).