N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide

C18H17FN4O2 — CID 139521951

IUPACN-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(CO)cc1C(=O)Nc1ccc(Cc2cccc(F)c2)cn1
InChIInChI=1S/C18H17FN4O2/c1-23-16(9-15(11-24)22-23)18(25)21-17-6-5-13(10-20-17)7-12-3-2-4-14(19)8-12/h2-6,8-10,24H,7,11H2,1H3,(H,20,21,25)
InChIKeyKXRPFKLAEDFUTH-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.29
Rot. Bonds5

About N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide

N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 139521951) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide
PubChem CID139521951
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(CO)cc1C(=O)Nc1ccc(Cc2cccc(F)c2)cn1
InChIInChI=1S/C18H17FN4O2/c1-23-16(9-15(11-24)22-23)18(25)21-17-6-5-13(10-20-17)7-12-3-2-4-14(19)8-12/h2-6,8-10,24H,7,11H2,1H3,(H,20,21,25)
InChIKeyKXRPFKLAEDFUTH-UHFFFAOYSA-N
XLogP2.29
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide (CID 139521951) is N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide is Cn1nc(CO)cc1C(=O)Nc1ccc(Cc2cccc(F)c2)cn1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is KXRPFKLAEDFUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-23-16(9-15(11-24)22-23)18(25)21-17-6-5-13(10-20-17)7-12-3-2-4-14(19)8-12/h2-6,8-10,24H,7,11H2,1H3,(H,20,21,25).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-3-(hydroxymethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 139521951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).