3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C21H21FN4O2S — CID 42592187

IUPAC3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccsc1C(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H21FN4O2S/c1-14-8-12-29-19(14)21(28)25-10-6-17(7-11-25)26-18(5-9-23-26)24-20(27)15-3-2-4-16(22)13-15/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,24,27)
InChIKeyLVMKYVXTZSLEIH-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.12
Rot. Bonds4

About 3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 42592187) has the molecular formula C21H21FN4O2S and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID42592187
Molecular FormulaC21H21FN4O2S
Molecular Weight412.49 g/mol
Exact Mass412.14
IUPAC Name3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccsc1C(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H21FN4O2S/c1-14-8-12-29-19(14)21(28)25-10-6-17(7-11-25)26-18(5-9-23-26)24-20(27)15-3-2-4-16(22)13-15/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,24,27)
InChIKeyLVMKYVXTZSLEIH-UHFFFAOYSA-N
XLogP4.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-Fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methyl-1-benzothiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 135844017
3-Anilino-1-[4-(cyanomethyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89462279
Cambridge id 5583804
CID 1350714
N-{4-[(4-methyl-1-piperazinyl)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-thiophenecarboxamide
CID 1350909
2-methyl-N-(1-{1-[4-(methylthio)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24791730
N-[2-[1-[(1-isopropylpyrazol-4-yl)methyl]-4-piperidyl]pyrazol-3-yl]-2-methyl-benzamide
CID 24791977
N-{1-[1-(2,6-difluorobenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 24793181
N-(1-{1-[4-(methylthio)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24817325
N-(1-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24817749
N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24817764
3-fluoro-N-(1-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24819214
2-phenyl-N-{1-[1-(1,3-thiazol-2-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}acetamide
CID 24790806

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 42592187) is 3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is Cc1ccsc1C(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is LVMKYVXTZSLEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2S/c1-14-8-12-29-19(14)21(28)25-10-6-17(7-11-25)26-18(5-9-23-26)24-20(27)15-3-2-4-16(22)13-15/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,24,27).
What are the key properties of 3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 42592187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).