N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide

C19H20FN3O2S — CID 42121834

IUPACN-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)s1
InChIInChI=1S/C19H20FN3O2S/c1-12(22-19(24)18-8-7-16(26-18)11-25-3)17-10-21-23(13(17)2)15-6-4-5-14(20)9-15/h4-10,12H,11H2,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeyNGXVAKDOMBKVJQ-LBPRGKRZSA-N
MW373.45 g/mol
LogP4.02
Rot. Bonds6

About N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide

N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide (PubChem CID 42121834) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide
PubChem CID42121834
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)s1
InChIInChI=1S/C19H20FN3O2S/c1-12(22-19(24)18-8-7-16(26-18)11-25-3)17-10-21-23(13(17)2)15-6-4-5-14(20)9-15/h4-10,12H,11H2,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeyNGXVAKDOMBKVJQ-LBPRGKRZSA-N
XLogP4.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-oxo-4-phenylbutanamide
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N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
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N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide
CID 25287126
1-[3-[[[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]phenyl]ethanone
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1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride
CID 154896679
N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 97156505
(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
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5-bromo-N-[2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 55830958
3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938666
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 45185399
N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide
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2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide (CID 42121834) is N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide is COCc1ccc(C(=O)N[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)s1.
What is the InChIKey of N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide?
The InChIKey is NGXVAKDOMBKVJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-12(22-19(24)18-8-7-16(26-18)11-25-3)17-10-21-23(13(17)2)15-6-4-5-14(20)9-15/h4-10,12H,11H2,1-3H3,(H,22,24)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide?
N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 42121834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).