N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide

C17H21FN4O — CID 24818985

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(Cc3ccccc3F)C2)n[nH]1
InChIInChI=1S/C17H21FN4O/c1-12-9-16(21-20-12)17(23)19-14-6-4-8-22(11-14)10-13-5-2-3-7-15(13)18/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,19,23)(H,20,21)
InChIKeySHJMPVGPSBTTPT-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.25
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 24818985) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID24818985
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(Cc3ccccc3F)C2)n[nH]1
InChIInChI=1S/C17H21FN4O/c1-12-9-16(21-20-12)17(23)19-14-6-4-8-22(11-14)10-13-5-2-3-7-15(13)18/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,19,23)(H,20,21)
InChIKeySHJMPVGPSBTTPT-UHFFFAOYSA-N
XLogP2.25
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide (CID 24818985) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(Cc3ccccc3F)C2)n[nH]1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is SHJMPVGPSBTTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12-9-16(21-20-12)17(23)19-14-6-4-8-22(11-14)10-13-5-2-3-7-15(13)18/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 24818985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).