(1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone

C16H21N5O — CID 175652301

IUPAC(1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCCC(c3cnccn3)C2)n1
InChIInChI=1S/C16H21N5O/c1-2-8-21-10-5-14(19-21)16(22)20-9-3-4-13(12-20)15-11-17-6-7-18-15/h5-7,10-11,13H,2-4,8-9,12H2,1H3
InChIKeyLEQQRJOAYHHYLP-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.10
Rot. Bonds4

About (1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone

(1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone (PubChem CID 175652301) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
PubChem CID175652301
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCCC(c3cnccn3)C2)n1
InChIInChI=1S/C16H21N5O/c1-2-8-21-10-5-14(19-21)16(22)20-9-3-4-13(12-20)15-11-17-6-7-18-15/h5-7,10-11,13H,2-4,8-9,12H2,1H3
InChIKeyLEQQRJOAYHHYLP-UHFFFAOYSA-N
XLogP2.10
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 110270611
(1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247587
[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 51590865
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 175652643
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1-propylpyrazol-3-yl)methanone
CID 35535451
(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110096423
(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824432
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 127246090
[(3R)-3-pyrazin-2-ylpiperidin-1-yl]-quinolin-2-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone (CID 175652301) is (1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone is CCCn1ccc(C(=O)N2CCCC(c3cnccn3)C2)n1.
What is the InChIKey of (1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone?
The InChIKey is LEQQRJOAYHHYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-8-21-10-5-14(19-21)16(22)20-9-3-4-13(12-20)15-11-17-6-7-18-15/h5-7,10-11,13H,2-4,8-9,12H2,1H3.
What are the key properties of (1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone?
(1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone has a molecular weight of 299.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 175652301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).