(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C19H27N5O — CID 95768651

IUPAC(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)(C)n1nc(C2CC2)cc1C(=O)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C19H27N5O/c1-19(2,3)24-17(11-16(22-24)13-6-7-13)18(25)23-10-4-5-14(12-23)15-8-9-20-21-15/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyKVAWJHDWCNQAPS-AWEZNQCLSA-N
MW341.46 g/mol
LogP3.26
Rot. Bonds3

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

(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95768651) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95768651
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)(C)n1nc(C2CC2)cc1C(=O)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C19H27N5O/c1-19(2,3)24-17(11-16(22-24)13-6-7-13)18(25)23-10-4-5-14(12-23)15-8-9-20-21-15/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyKVAWJHDWCNQAPS-AWEZNQCLSA-N
XLogP3.26
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
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(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine
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cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95768651) is (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CC(C)(C)n1nc(C2CC2)cc1C(=O)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is KVAWJHDWCNQAPS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O/c1-19(2,3)24-17(11-16(22-24)13-6-7-13)18(25)23-10-4-5-14(12-23)15-8-9-20-21-15/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95768651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).