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

C16H23N5O — CID 175652643

IUPAC[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCCC(c3[nH]ncc3C)C2)n1
InChIInChI=1S/C16H23N5O/c1-3-7-21-9-6-14(19-21)16(22)20-8-4-5-13(11-20)15-12(2)10-17-18-15/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,17,18)
InChIKeyRFQGRIVBOOYTCB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.34
Rot. Bonds4

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

[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone (PubChem CID 175652643) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is [3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
PubChem CID175652643
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCCC(c3[nH]ncc3C)C2)n1
InChIInChI=1S/C16H23N5O/c1-3-7-21-9-6-14(19-21)16(22)20-8-4-5-13(11-20)15-12(2)10-17-18-15/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,17,18)
InChIKeyRFQGRIVBOOYTCB-UHFFFAOYSA-N
XLogP2.34
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 175652301
[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
CID 124954435
(1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247587
(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124980360
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1-propylpyrazol-3-yl)methanone
CID 35535451
5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110083029
[4-[(dimethylamino)methyl]phenyl]-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124945852
(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247491
2-imidazol-1-yl-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124983601
(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 110082899
3-amino-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 171687293
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The IUPAC name of [3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone (CID 175652643) is [3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone is CCCn1ccc(C(=O)N2CCCC(c3[nH]ncc3C)C2)n1.
What is the InChIKey of [3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The InChIKey is RFQGRIVBOOYTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-7-21-9-6-14(19-21)16(22)20-8-4-5-13(11-20)15-12(2)10-17-18-15/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,17,18).
What are the key properties of [3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone?
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 175652643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).