1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide

C18H23FN4O — CID 47856067

IUPAC1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide
SMILESCC1CCCN(CCNC(=O)c2ccn(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C18H23FN4O/c1-14-4-3-9-22(13-14)11-8-20-18(24)17-7-10-23(21-17)16-6-2-5-15(19)12-16/h2,5-7,10,12,14H,3-4,8-9,11,13H2,1H3,(H,20,24)
InChIKeyNORDKDJBMJYECE-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.47
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide

1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 47856067) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide
PubChem CID47856067
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide
SMILESCC1CCCN(CCNC(=O)c2ccn(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C18H23FN4O/c1-14-4-3-9-22(13-14)11-8-20-18(24)17-7-10-23(21-17)16-6-2-5-15(19)12-16/h2,5-7,10,12,14H,3-4,8-9,11,13H2,1H3,(H,20,24)
InChIKeyNORDKDJBMJYECE-UHFFFAOYSA-N
XLogP2.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide (CID 47856067) is 1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide is CC1CCCN(CCNC(=O)c2ccn(-c3cccc(F)c3)n2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is NORDKDJBMJYECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-14-4-3-9-22(13-14)11-8-20-18(24)17-7-10-23(21-17)16-6-2-5-15(19)12-16/h2,5-7,10,12,14H,3-4,8-9,11,13H2,1H3,(H,20,24).
What are the key properties of 1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 47856067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).