N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide

C20H25N7O2 — CID 137222258

IUPACN-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C20H25N7O2/c1-2-21-19(28)16-12-27(15-8-4-3-5-9-15)25-18(16)14-7-6-10-26(11-14)13-17-22-20(29)24-23-17/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3,(H,21,28)(H2,22,23,24,29)/t14-/m0/s1
InChIKeySISUAYJVLCWPRO-AWEZNQCLSA-N
MW395.47 g/mol
LogP1.41
Rot. Bonds6

About N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide

N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 137222258) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID137222258
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C20H25N7O2/c1-2-21-19(28)16-12-27(15-8-4-3-5-9-15)25-18(16)14-7-6-10-26(11-14)13-17-22-20(29)24-23-17/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3,(H,21,28)(H2,22,23,24,29)/t14-/m0/s1
InChIKeySISUAYJVLCWPRO-AWEZNQCLSA-N
XLogP1.41
TPSA111.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 129324409
N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 129323745
3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 129323530
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-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide
CID 128993642
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 128991468
N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 97085545
2-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136563572
3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 95722904
(3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
CID 136853798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 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) is N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide is CCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1.
What is the InChIKey of N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is SISUAYJVLCWPRO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-2-21-19(28)16-12-27(15-8-4-3-5-9-15)25-18(16)14-7-6-10-26(11-14)13-17-22-20(29)24-23-17/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3,(H,21,28)(H2,22,23,24,29)/t14-/m0/s1.
What are the key properties of N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 137222258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).