1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

C27H33N5O2 — CID 92876422

IUPAC1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C27H33N5O2/c1-4-24(33)29-25-20(3)30-32(23-13-9-6-10-14-23)27(25)31-17-15-22(16-18-31)26(34)28-19(2)21-11-7-5-8-12-21/h5-14,19,22H,4,15-18H2,1-3H3,(H,28,34)(H,29,33)/t19-/m0/s1
InChIKeyFTGTZGHLZRQOEZ-IBGZPJMESA-N
MW459.59 g/mol
LogP4.62
Rot. Bonds7

About 1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 92876422) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID92876422
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C27H33N5O2/c1-4-24(33)29-25-20(3)30-32(23-13-9-6-10-14-23)27(25)31-17-15-22(16-18-31)26(34)28-19(2)21-11-7-5-8-12-21/h5-14,19,22H,4,15-18H2,1-3H3,(H,28,34)(H,29,33)/t19-/m0/s1
InChIKeyFTGTZGHLZRQOEZ-IBGZPJMESA-N
XLogP4.62
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (CID 92876422) is 1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is CCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1.
What is the InChIKey of 1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is FTGTZGHLZRQOEZ-IBGZPJMESA-N. The full InChI is InChI=1S/C27H33N5O2/c1-4-24(33)29-25-20(3)30-32(23-13-9-6-10-14-23)27(25)31-17-15-22(16-18-31)26(34)28-19(2)21-11-7-5-8-12-21/h5-14,19,22H,4,15-18H2,1-3H3,(H,28,34)(H,29,33)/t19-/m0/s1.
What are the key properties of 1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 92876422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).