(2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C15H22N6O — CID 53192538

IUPAC(2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCn1cnnc1C1CCN(C(=O)c2ccnn2CC)CC1
InChIInChI=1S/C15H22N6O/c1-3-19-11-16-18-14(19)12-6-9-20(10-7-12)15(22)13-5-8-17-21(13)4-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3
InChIKeyBDHBRWNTQKFXIG-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.53
Rot. Bonds4

About (2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192538) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192538
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCn1cnnc1C1CCN(C(=O)c2ccnn2CC)CC1
InChIInChI=1S/C15H22N6O/c1-3-19-11-16-18-14(19)12-6-9-20(10-7-12)15(22)13-5-8-17-21(13)4-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3
InChIKeyBDHBRWNTQKFXIG-UHFFFAOYSA-N
XLogP1.53
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067
2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
CID 28785555
(2-Methylpyrimidin-4-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53568140
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 53588821
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779749
4-ethyl-5-({1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56875666
6-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-2-methyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 56912384
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 72136181
(1-Propan-2-ylpyrazol-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72136185
(2-Methylpyrimidin-4-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143539

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192538) is (2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CCn1cnnc1C1CCN(C(=O)c2ccnn2CC)CC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is BDHBRWNTQKFXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-19-11-16-18-14(19)12-6-9-20(10-7-12)15(22)13-5-8-17-21(13)4-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).