(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H20ClN5O — CID 95844686

IUPAC(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCCn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)n1
InChIInChI=1S/C15H20ClN5O/c1-2-7-21-10-12(16)14(19-21)15(22)20-8-3-4-11(9-20)13-5-6-17-18-13/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyYSVDLOGRCONHMA-NSHDSACASA-N
MW321.81 g/mol
LogP2.69
Rot. Bonds4

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

(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95844686) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95844686
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCCn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)n1
InChIInChI=1S/C15H20ClN5O/c1-2-7-21-10-12(16)14(19-21)15(22)20-8-3-4-11(9-20)13-5-6-17-18-13/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyYSVDLOGRCONHMA-NSHDSACASA-N
XLogP2.69
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

6-[1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115171
6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125022204
(4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110096144
(4-chloro-1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270611
(4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125016375
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125019919
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(1-benzyl-5-methyltriazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56744759
(1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95205487
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70769853

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95844686) is (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCCn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)n1.
What is the InChIKey of (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is YSVDLOGRCONHMA-NSHDSACASA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-2-7-21-10-12(16)14(19-21)15(22)20-8-3-4-11(9-20)13-5-6-17-18-13/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 321.81 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95844686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).