(1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C15H20N4O — CID 110258799

IUPAC(1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCCCC1c2cccn2CCN1C(=O)c1ccn(C)n1
InChIInChI=1S/C15H20N4O/c1-3-5-14-13-6-4-8-18(13)10-11-19(14)15(20)12-7-9-17(2)16-12/h4,6-9,14H,3,5,10-11H2,1-2H3
InChIKeyRVVLPAIMOGTOBX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.22
Rot. Bonds3

About (1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

(1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 110258799) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID110258799
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCCCC1c2cccn2CCN1C(=O)c1ccn(C)n1
InChIInChI=1S/C15H20N4O/c1-3-5-14-13-6-4-8-18(13)10-11-19(14)15(20)12-7-9-17(2)16-12/h4,6-9,14H,3,5,10-11H2,1-2H3
InChIKeyRVVLPAIMOGTOBX-UHFFFAOYSA-N
XLogP2.22
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711977
(6-methyl-1H-benzimidazol-2-yl)-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 51495381
(1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711989
[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 51495377
(1S)-N-(4-bromo-3-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711993
(1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711991
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 96578460
(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 70727929
(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
CID 50983759
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122367
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 102737857

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 110258799) is (1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is CCCC1c2cccn2CCN1C(=O)c1ccn(C)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is RVVLPAIMOGTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-5-14-13-6-4-8-18(13)10-11-19(14)15(20)12-7-9-17(2)16-12/h4,6-9,14H,3,5,10-11H2,1-2H3.
What are the key properties of (1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
(1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 110258799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).