N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide

C23H25FN4O — CID 91887872

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1
InChIInChI=1S/C23H25FN4O/c1-15-10-16(2)12-18(11-15)23(29)25-20-4-3-9-28(14-20)22-13-21(26-27-22)17-5-7-19(24)8-6-17/h5-8,10-13,20H,3-4,9,14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyCZIOSNNQRCTYQV-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.23
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide (PubChem CID 91887872) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
PubChem CID91887872
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1
InChIInChI=1S/C23H25FN4O/c1-15-10-16(2)12-18(11-15)23(29)25-20-4-3-9-28(14-20)22-13-21(26-27-22)17-5-7-19(24)8-6-17/h5-8,10-13,20H,3-4,9,14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyCZIOSNNQRCTYQV-UHFFFAOYSA-N
XLogP4.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide (CID 91887872) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide?
The InChIKey is CZIOSNNQRCTYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-15-10-16(2)12-18(11-15)23(29)25-20-4-3-9-28(14-20)22-13-21(26-27-22)17-5-7-19(24)8-6-17/h5-8,10-13,20H,3-4,9,14H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide has a molecular weight of 392.48 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide is sourced from PubChem (CID 91887872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).