N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C20H22F2N4O2 — CID 25447168

IUPACN-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1)C1CC1
InChIInChI=1S/C20H22F2N4O2/c21-16-4-1-13(11-17(16)22)12-19(27)25-9-6-15(7-10-25)26-18(5-8-23-26)24-20(28)14-2-3-14/h1,4-5,8,11,14-15H,2-3,6-7,9-10,12H2,(H,24,28)
InChIKeyNOIFNNAVIUFFBY-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.92
Rot. Bonds5

About N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 25447168) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID25447168
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1)C1CC1
InChIInChI=1S/C20H22F2N4O2/c21-16-4-1-13(11-17(16)22)12-19(27)25-9-6-15(7-10-25)26-18(5-8-23-26)24-20(28)14-2-3-14/h1,4-5,8,11,14-15H,2-3,6-7,9-10,12H2,(H,24,28)
InChIKeyNOIFNNAVIUFFBY-UHFFFAOYSA-N
XLogP2.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560709
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(1-methyl-1H-pyrazol-3-yl)-urea
CID 11373714
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560158
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 118560393
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetamide
CID 118560423
2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560466
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
Elovl1-IN-1
CID 134587945
1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134588837
2-(2-fluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 134589150
1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134596870

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 25447168) is N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccnn1C1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1)C1CC1.
What is the InChIKey of N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is NOIFNNAVIUFFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c21-16-4-1-13(11-17(16)22)12-19(27)25-9-6-15(7-10-25)26-18(5-8-23-26)24-20(28)14-2-3-14/h1,4-5,8,11,14-15H,2-3,6-7,9-10,12H2,(H,24,28).
What are the key properties of N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 25447168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).