3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide

C22H25N7O2 — CID 129323530

IUPAC3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(C(=O)c2nccnc2N)C1
InChIInChI=1S/C22H25N7O2/c1-2-24-21(30)17-14-29(16-8-4-3-5-9-16)27-18(17)15-7-6-12-28(13-15)22(31)19-20(23)26-11-10-25-19/h3-5,8-11,14-15H,2,6-7,12-13H2,1H3,(H2,23,26)(H,24,30)/t15-/m0/s1
InChIKeyBMIUHCSVCZXDGO-HNNXBMFYSA-N
MW419.49 g/mol
LogP2.01
Rot. Bonds5

About 3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide

3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 129323530) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide
PubChem CID129323530
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(C(=O)c2nccnc2N)C1
InChIInChI=1S/C22H25N7O2/c1-2-24-21(30)17-14-29(16-8-4-3-5-9-16)27-18(17)15-7-6-12-28(13-15)22(31)19-20(23)26-11-10-25-19/h3-5,8-11,14-15H,2,6-7,12-13H2,1H3,(H2,23,26)(H,24,30)/t15-/m0/s1
InChIKeyBMIUHCSVCZXDGO-HNNXBMFYSA-N
XLogP2.01
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 129323745
N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 129324409
N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 137222258
3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 167920055
3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 128989170
(3-aminopyrazin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487560
3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 128991468
3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide
CID 128993642
2-[[1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-methylamino]-N,N-diethylacetamide
CID 167843023
(3-tert-butyl-1-phenylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119494042
(3S)-1-(4-ethoxy-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 99638837
[3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone
CID 119492158

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide (CID 129323530) is 3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide is CCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(C(=O)c2nccnc2N)C1.
What is the InChIKey of 3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is BMIUHCSVCZXDGO-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-2-24-21(30)17-14-29(16-8-4-3-5-9-16)27-18(17)15-7-6-12-28(13-15)22(31)19-20(23)26-11-10-25-19/h3-5,8-11,14-15H,2,6-7,12-13H2,1H3,(H2,23,26)(H,24,30)/t15-/m0/s1.
What are the key properties of 3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide?
3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 129323530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).