(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H21N5O — CID 124980360

IUPAC(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3C)C2)cn1
InChIInChI=1S/C15H21N5O/c1-3-20-10-13(8-17-20)15(21)19-6-4-5-12(9-19)14-11(2)7-16-18-14/h7-8,10,12H,3-6,9H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyMIGCSAQFRXXZBW-LBPRGKRZSA-N
MW287.37 g/mol
LogP1.95
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 124980360) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID124980360
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3C)C2)cn1
InChIInChI=1S/C15H21N5O/c1-3-20-10-13(8-17-20)15(21)19-6-4-5-12(9-19)14-11(2)7-16-18-14/h7-8,10,12H,3-6,9H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyMIGCSAQFRXXZBW-LBPRGKRZSA-N
XLogP1.95
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylpyrazol-4-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124955870
(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 175652313
N-cyclohexyl-N-methyl-5-[(3S)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 125008854
N-cyclohexyl-N-methyl-5-[1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 110083035
6-[(3R)-1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125007295
[4-[(dimethylamino)methyl]phenyl]-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124945852
2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 125013996
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 175652643
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 124953187
(1-ethylpyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396309
(3,5-difluorophenyl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124977219
3-amino-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 171687293

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 124980360) is (1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3C)C2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is MIGCSAQFRXXZBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-20-10-13(8-17-20)15(21)19-6-4-5-12(9-19)14-11(2)7-16-18-14/h7-8,10,12H,3-6,9H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 287.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124980360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).