(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C17H25N5O — CID 125019919

IUPAC(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H25N5O/c1-4-22-16(10-15(20-22)12(2)3)17(23)21-9-5-6-13(11-21)14-7-8-18-19-14/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyXZJQZIRQVCQPHG-ZDUSSCGKSA-N
MW315.42 g/mol
LogP2.77
Rot. Bonds4

About (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 125019919) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID125019919
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H25N5O/c1-4-22-16(10-15(20-22)12(2)3)17(23)21-9-5-6-13(11-21)14-7-8-18-19-14/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyXZJQZIRQVCQPHG-ZDUSSCGKSA-N
XLogP2.77
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
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[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 125019919) is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is XZJQZIRQVCQPHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-22-16(10-15(20-22)12(2)3)17(23)21-9-5-6-13(11-21)14-7-8-18-19-14/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 125019919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).