N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

C20H25ClN4O — CID 44522206

IUPACN-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)c1ccn[nH]1
InChIInChI=1S/C20H25ClN4O/c21-16-4-2-15(3-5-16)20(9-1-10-20)14-25-12-7-17(8-13-25)23-19(26)18-6-11-22-24-18/h2-6,11,17H,1,7-10,12-14H2,(H,22,24)(H,23,26)
InChIKeyCPEWZJLJEGRJDB-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.38
Rot. Bonds5

About N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 44522206) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID44522206
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC NameN-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)c1ccn[nH]1
InChIInChI=1S/C20H25ClN4O/c21-16-4-2-15(3-5-16)20(9-1-10-20)14-25-12-7-17(8-13-25)23-19(26)18-6-11-22-24-18/h2-6,11,17H,1,7-10,12-14H2,(H,22,24)(H,23,26)
InChIKeyCPEWZJLJEGRJDB-UHFFFAOYSA-N
XLogP3.38
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 44522206) is N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)c1ccn[nH]1.
What is the InChIKey of N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is CPEWZJLJEGRJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c21-16-4-2-15(3-5-16)20(9-1-10-20)14-25-12-7-17(8-13-25)23-19(26)18-6-11-22-24-18/h2-6,11,17H,1,7-10,12-14H2,(H,22,24)(H,23,26).
What are the key properties of N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 44522206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).