(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide

C18H23N5O2 — CID 124843438

IUPAC(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
SMILESCCc1c(NC(=O)N2CCC[C@@H](C(N)=O)C2)cnn1-c1ccccc1
InChIInChI=1S/C18H23N5O2/c1-2-16-15(11-20-23(16)14-8-4-3-5-9-14)21-18(25)22-10-6-7-13(12-22)17(19)24/h3-5,8-9,11,13H,2,6-7,10,12H2,1H3,(H2,19,24)(H,21,25)/t13-/m1/s1
InChIKeyDRZUWJOUIUXDMQ-CYBMUJFWSA-N
MW341.42 g/mol
LogP2.16
Rot. Bonds4

About (3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide

(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide (PubChem CID 124843438) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
PubChem CID124843438
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
SMILESCCc1c(NC(=O)N2CCC[C@@H](C(N)=O)C2)cnn1-c1ccccc1
InChIInChI=1S/C18H23N5O2/c1-2-16-15(11-20-23(16)14-8-4-3-5-9-14)21-18(25)22-10-6-7-13(12-22)17(19)24/h3-5,8-9,11,13H,2,6-7,10,12H2,1H3,(H2,19,24)(H,21,25)/t13-/m1/s1
InChIKeyDRZUWJOUIUXDMQ-CYBMUJFWSA-N
XLogP2.16
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122089636
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122093530
1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122091731
(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
CID 172908594
1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087339
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide
CID 131963809

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide (CID 124843438) is (3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide is CCc1c(NC(=O)N2CCC[C@@H](C(N)=O)C2)cnn1-c1ccccc1.
What is the InChIKey of (3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide?
The InChIKey is DRZUWJOUIUXDMQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-16-15(11-20-23(16)14-8-4-3-5-9-14)21-18(25)22-10-6-7-13(12-22)17(19)24/h3-5,8-9,11,13H,2,6-7,10,12H2,1H3,(H2,19,24)(H,21,25)/t13-/m1/s1.
What are the key properties of (3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide?
(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 124843438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).