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

C13H17N5O — CID 62867413

IUPAC(5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H17N5O/c1-9-11(7-15-16-9)13(19)18-6-2-3-10(8-18)12-4-5-14-17-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyBBTMOFNMZNXQRK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.46
Rot. Bonds2

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

(5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 62867413) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID62867413
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H17N5O/c1-9-11(7-15-16-9)13(19)18-6-2-3-10(8-18)12-4-5-14-17-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyBBTMOFNMZNXQRK-UHFFFAOYSA-N
XLogP1.46
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US10022354, Example 107
CID 121279590
1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 51104533
(5-ethyl-1H-pyrazol-4-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53564631
(5-ethyl-1H-pyrazol-4-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53571089
(5-methyl-1H-pyrazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 71926880
5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926929
1H-pyrazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 72121223
[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-ethyl-1H-pyrazol-4-yl)methanone
CID 72142628
3-(4-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 72148217
2-(1-methylpyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 72148301
1-{2-[3-(1H-Pyrazol-3-YL)piperidin-1-YL]ethyl}pyrrolidin-2-one
CID 72153927
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,5-dimethyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72940539

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 62867413) is (5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1[nH]ncc1C(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is BBTMOFNMZNXQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-11(7-15-16-9)13(19)18-6-2-3-10(8-18)12-4-5-14-17-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 259.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 62867413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).