N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide

C18H23FN4O2 — CID 122570470

IUPACN-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NC(C)c2cnn(-c3ccccc3F)c2)CC1
InChIInChI=1S/C18H23FN4O2/c1-13(21-18(24)22-9-7-15(25-2)8-10-22)14-11-20-23(12-14)17-6-4-3-5-16(17)19/h3-6,11-13,15H,7-10H2,1-2H3,(H,21,24)
InChIKeyRABWIBYMMGPPDB-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.89
Rot. Bonds4

About N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide

N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide (PubChem CID 122570470) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide
PubChem CID122570470
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NC(C)c2cnn(-c3ccccc3F)c2)CC1
InChIInChI=1S/C18H23FN4O2/c1-13(21-18(24)22-9-7-15(25-2)8-10-22)14-11-20-23(12-14)17-6-4-3-5-16(17)19/h3-6,11-13,15H,7-10H2,1-2H3,(H,21,24)
InChIKeyRABWIBYMMGPPDB-UHFFFAOYSA-N
XLogP2.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide
CID 125170397
N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide
CID 125447213
2-(cyclopropylmethylsulfanyl)-N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
CID 126438730
2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
CID 125176662
1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 125439921
1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 125441973
4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 139000355
1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125443355
(3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 97029592
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide
CID 126424698
1-(2-fluorophenyl)-4-methoxypiperidine
CID 15403847
1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125444228

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide (CID 122570470) is N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide is COC1CCN(C(=O)NC(C)c2cnn(-c3ccccc3F)c2)CC1.
What is the InChIKey of N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide?
The InChIKey is RABWIBYMMGPPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13(21-18(24)22-9-7-15(25-2)8-10-22)14-11-20-23(12-14)17-6-4-3-5-16(17)19/h3-6,11-13,15H,7-10H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide?
N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 122570470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).