N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide

C21H25FN6O — CID 92567188

IUPACN-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)n1
InChIInChI=1S/C21H25FN6O/c1-26-10-9-19(24-26)21(29)23-17-7-11-28(12-8-17)14-18-13-20(25-27(18)2)15-3-5-16(22)6-4-15/h3-6,9-10,13,17H,7-8,11-12,14H2,1-2H3,(H,23,29)
InChIKeyCKBXQJRXKFNJJI-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.35
Rot. Bonds5

About N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide

N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 92567188) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID92567188
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC NameN-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)n1
InChIInChI=1S/C21H25FN6O/c1-26-10-9-19(24-26)21(29)23-17-7-11-28(12-8-17)14-18-13-20(25-27(18)2)15-3-5-16(22)6-4-15/h3-6,9-10,13,17H,7-8,11-12,14H2,1-2H3,(H,23,29)
InChIKeyCKBXQJRXKFNJJI-UHFFFAOYSA-N
XLogP2.35
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 92567188) is N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)n1.
What is the InChIKey of N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is CKBXQJRXKFNJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-26-10-9-19(24-26)21(29)23-17-7-11-28(12-8-17)14-18-13-20(25-27(18)2)15-3-5-16(22)6-4-15/h3-6,9-10,13,17H,7-8,11-12,14H2,1-2H3,(H,23,29).
What are the key properties of N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 92567188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).