N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide

C20H27ClN4O — CID 24794132

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)c1C
InChIInChI=1S/C20H27ClN4O/c1-3-10-25-15(2)19(12-22-25)20(26)23-18-5-4-11-24(14-18)13-16-6-8-17(21)9-7-16/h6-9,12,18H,3-5,10-11,13-14H2,1-2H3,(H,23,26)
InChIKeyRXMJXPXMPOTLFD-UHFFFAOYSA-N
MW374.92 g/mol
LogP3.65
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 24794132) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide
PubChem CID24794132
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)c1C
InChIInChI=1S/C20H27ClN4O/c1-3-10-25-15(2)19(12-22-25)20(26)23-18-5-4-11-24(14-18)13-16-6-8-17(21)9-7-16/h6-9,12,18H,3-5,10-11,13-14H2,1-2H3,(H,23,26)
InChIKeyRXMJXPXMPOTLFD-UHFFFAOYSA-N
XLogP3.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide (CID 24794132) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)c1C.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is RXMJXPXMPOTLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-3-10-25-15(2)19(12-22-25)20(26)23-18-5-4-11-24(14-18)13-16-6-8-17(21)9-7-16/h6-9,12,18H,3-5,10-11,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 374.92 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 24794132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).