N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide

C19H25FN4O2 — CID 46971499

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
SMILESCCn1cc(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)c(C)n1
InChIInChI=1S/C19H25FN4O2/c1-3-24-12-18(14(2)22-24)21-19(25)13-23-10-8-17(9-11-23)26-16-6-4-15(20)5-7-16/h4-7,12,17H,3,8-11,13H2,1-2H3,(H,21,25)
InChIKeyXHIITWRZMKOIGY-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.83
Rot. Bonds6

About N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide

N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide (PubChem CID 46971499) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
PubChem CID46971499
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
SMILESCCn1cc(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)c(C)n1
InChIInChI=1S/C19H25FN4O2/c1-3-24-12-18(14(2)22-24)21-19(25)13-23-10-8-17(9-11-23)26-16-6-4-15(20)5-7-16/h4-7,12,17H,3,8-11,13H2,1-2H3,(H,21,25)
InChIKeyXHIITWRZMKOIGY-UHFFFAOYSA-N
XLogP2.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484726
N-(4-methoxyphenyl)-1-[3-(1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 24816914
(E)-N-(2-aminophenyl)-3-(1-(2-(3,5-difluorophenoxy)ethyl)-1H-pyrazol-4-yl)acrylamide
CID 60198421
(E)-N-(2-aminophenyl)-3-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-yl]prop-2-enamide
CID 60198480
(E)-N-(2-amino-4-fluorophenyl)-3-[1-(2-phenoxyethyl)pyrazol-4-yl]prop-2-enamide
CID 60198612
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide
CID 24793276
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide
CID 100830469
N-(1-methylpyrazol-4-yl)-4-phenoxy-butanamide
CID 145420094
(E)-N-(2-aminophenyl)-3-[1-(3-phenoxypropyl)pyrazol-4-yl]prop-2-enamide
CID 60198611
N-(4-ethoxyphenyl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide
CID 1512410
N-(4-ethoxyphenyl)-3-(1H-pyrazol-1-yl)propanamide
CID 16026432
4-[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 16258485

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide (CID 46971499) is N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide is CCn1cc(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide?
The InChIKey is XHIITWRZMKOIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-3-24-12-18(14(2)22-24)21-19(25)13-23-10-8-17(9-11-23)26-16-6-4-15(20)5-7-16/h4-7,12,17H,3,8-11,13H2,1-2H3,(H,21,25).
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide?
N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide has a molecular weight of 360.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide is sourced from PubChem (CID 46971499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).