(1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C16H23N5O — CID 100669470

IUPAC(1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cn1
InChIInChI=1S/C16H23N5O/c1-16(2,3)21-11-13(9-18-21)15(22)20-8-4-5-12(10-20)14-6-7-17-19-14/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyZJOAEMONPROQSW-LBPRGKRZSA-N
MW301.39 g/mol
LogP2.38
Rot. Bonds2

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

(1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 100669470) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID100669470
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cn1
InChIInChI=1S/C16H23N5O/c1-16(2,3)21-11-13(9-18-21)15(22)20-8-4-5-12(10-20)14-6-7-17-19-14/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyZJOAEMONPROQSW-LBPRGKRZSA-N
XLogP2.38
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-phenylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126466165
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605887
(1-tert-butylpyrazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734817
(1-tert-butylpyrazol-4-yl)-[(3R)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone
CID 94177631
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
(3-amino-4-bromophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 61110136
(3-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 104852380
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95841606
[6-(cyclopropylmethoxy)-3-pyridinyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95781185

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 100669470) is (1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CC(C)(C)n1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cn1.
What is the InChIKey of (1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZJOAEMONPROQSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O/c1-16(2,3)21-11-13(9-18-21)15(22)20-8-4-5-12(10-20)14-6-7-17-19-14/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 301.39 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 100669470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).